[3-[[2-amino-6-methyl-5-[4-(methyliminomethyl)-5-prop-2-enyl-1,3-thiazol-2-yl]pyrimidin-4-yl]amino]cyclopentyl]methanol

C19H26N6OS — CID 143945484

IUPAC[3-[[2-amino-6-methyl-5-[4-(methyliminomethyl)-5-prop-2-enyl-1,3-thiazol-2-yl]pyrimidin-4-yl]amino]cyclopentyl]methanol
SMILESC=CCc1sc(-c2c(C)nc(N)nc2NC2CCC(CO)C2)nc1/C=N/C
InChIInChI=1S/C19H26N6OS/c1-4-5-15-14(9-21-3)24-18(27-15)16-11(2)22-19(20)25-17(16)23-13-7-6-12(8-13)10-26/h4,9,12-13,26H,1,5-8,10H2,2-3H3,(H3,20,22,23,25)/b21-9+
InChIKeySIIJEKYDZYEMHU-ZVBGSRNCSA-N
MW386.53 g/mol
LogP2.84
Rot. Bonds7

About [3-[[2-amino-6-methyl-5-[4-(methyliminomethyl)-5-prop-2-enyl-1,3-thiazol-2-yl]pyrimidin-4-yl]amino]cyclopentyl]methanol

[3-[[2-amino-6-methyl-5-[4-(methyliminomethyl)-5-prop-2-enyl-1,3-thiazol-2-yl]pyrimidin-4-yl]amino]cyclopentyl]methanol (PubChem CID 143945484) has the molecular formula C19H26N6OS and a molecular weight of 386.53 g/mol. Its IUPAC name is [3-[[2-amino-6-methyl-5-[4-(methyliminomethyl)-5-prop-2-enyl-1,3-thiazol-2-yl]pyrimidin-4-yl]amino]cyclopentyl]methanol.

Molecular Properties

Compound Name[3-[[2-amino-6-methyl-5-[4-(methyliminomethyl)-5-prop-2-enyl-1,3-thiazol-2-yl]pyrimidin-4-yl]amino]cyclopentyl]methanol
PubChem CID143945484
Molecular FormulaC19H26N6OS
Molecular Weight386.53 g/mol
Exact Mass386.19
IUPAC Name[3-[[2-amino-6-methyl-5-[4-(methyliminomethyl)-5-prop-2-enyl-1,3-thiazol-2-yl]pyrimidin-4-yl]amino]cyclopentyl]methanol
SMILESC=CCc1sc(-c2c(C)nc(N)nc2NC2CCC(CO)C2)nc1/C=N/C
InChIInChI=1S/C19H26N6OS/c1-4-5-15-14(9-21-3)24-18(27-15)16-11(2)22-19(20)25-17(16)23-13-7-6-12(8-13)10-26/h4,9,12-13,26H,1,5-8,10H2,2-3H3,(H3,20,22,23,25)/b21-9+
InChIKeySIIJEKYDZYEMHU-ZVBGSRNCSA-N
XLogP2.84
TPSA109.31 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.53
LogP ≤ 52.84
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

cis-3-(2-Amino-6-{[2-(4,5-dimethyl-1,3-thiazol-2-yl)ethyl]amino}pyrimidin-4-yl)cyclobutanol
CID 91796271
(Z)-but-2-ene;2-[3-[[5-(4,5-dimethyl-1,3-thiazol-2-yl)-6-methyl-2-(2,2,2-trifluoroethylamino)pyrimidin-4-yl]amino]cyclopentyl]propan-2-ol
CID 143945355
(1S)-3-[[5-[5-ethenyl-4-(2-methyliminoethyl)-1,3-thiazol-2-yl]-2-[[(2R,3E,4Z)-3-ethylidene-6-(trifluoromethoxy)hepta-4,6-dien-2-yl]amino]-6-methylpyrimidin-4-yl]amino]-5-(hydroxymethyl)-2-methylcyclopentan-1-ol
CID 143945369
1-[(3S)-3-[[6-methyl-5-[5-methyl-4-[(Z)-prop-1-enyl]-1,3-thiazol-2-yl]-2-(2,2,2-trifluoroethylamino)pyrimidin-4-yl]amino]cyclopentyl]ethanol
CID 143946261
[3-[[5-(6H-cyclohepta[d][1,3]thiazol-2-yl)-2-(2,2,2-trifluoroethylamino)pyrimidin-4-yl]amino]cyclopentyl]methanol
CID 143946438
1-[3-[[5-[5-[(1Z)-buta-1,3-dienyl]-4-methyl-1,3-thiazol-2-yl]-6-methyl-2-(2,2,2-trifluoroethylamino)pyrimidin-4-yl]amino]cyclopentyl]ethanol
CID 143946582
1-[3-[[5-(4H-cyclohepta[d][1,3]thiazol-2-yl)-6-methyl-2-(2,2,2-trifluoroethylamino)pyrimidin-4-yl]amino]cyclopentyl]ethanol;ethane
CID 143946631
[3-[[5-[5-[(1Z)-buta-1,3-dienyl]-4-methyl-1,3-thiazol-2-yl]-6-chloro-2-(3,3,3-trifluoropropylamino)pyrimidin-4-yl]amino]cyclopentyl]methanol
CID 143946659
ethene;4-ethyl-6-[[5-[5-ethyl-4-[(Z)-prop-1-enyl]-1,3-thiazol-2-yl]-6-methyl-2-(2,2,2-trifluoroethylamino)pyrimidin-4-yl]amino]hexan-3-ol
CID 143946712
2-[3-[[5-(4,5-Dimethyl-1,3-thiazol-2-yl)-6-methyl-2-(2,2,2-trifluoroethylamino)pyrimidin-4-yl]amino]cyclopentyl]propan-2-ol
CID 143945356
1-[3-[[5-(4H-cyclohepta[d][1,3]thiazol-2-yl)-6-methyl-2-(2,2,2-trifluoroethylamino)pyrimidin-4-yl]amino]cyclopentyl]ethanol
CID 143946632
4-ethyl-6-[[5-[5-ethyl-4-[(Z)-prop-1-enyl]-1,3-thiazol-2-yl]-6-methyl-2-(2,2,2-trifluoroethylamino)pyrimidin-4-yl]amino]hexan-3-ol
CID 143946713

Frequently Asked Questions

What is the IUPAC name of [3-[[2-amino-6-methyl-5-[4-(methyliminomethyl)-5-prop-2-enyl-1,3-thiazol-2-yl]pyrimidin-4-yl]amino]cyclopentyl]methanol?
The IUPAC name of [3-[[2-amino-6-methyl-5-[4-(methyliminomethyl)-5-prop-2-enyl-1,3-thiazol-2-yl]pyrimidin-4-yl]amino]cyclopentyl]methanol (CID 143945484) is [3-[[2-amino-6-methyl-5-[4-(methyliminomethyl)-5-prop-2-enyl-1,3-thiazol-2-yl]pyrimidin-4-yl]amino]cyclopentyl]methanol.
What is the SMILES notation for [3-[[2-amino-6-methyl-5-[4-(methyliminomethyl)-5-prop-2-enyl-1,3-thiazol-2-yl]pyrimidin-4-yl]amino]cyclopentyl]methanol?
The canonical SMILES for [3-[[2-amino-6-methyl-5-[4-(methyliminomethyl)-5-prop-2-enyl-1,3-thiazol-2-yl]pyrimidin-4-yl]amino]cyclopentyl]methanol is C=CCc1sc(-c2c(C)nc(N)nc2NC2CCC(CO)C2)nc1/C=N/C.
What is the InChIKey of [3-[[2-amino-6-methyl-5-[4-(methyliminomethyl)-5-prop-2-enyl-1,3-thiazol-2-yl]pyrimidin-4-yl]amino]cyclopentyl]methanol?
The InChIKey is SIIJEKYDZYEMHU-ZVBGSRNCSA-N. The full InChI is InChI=1S/C19H26N6OS/c1-4-5-15-14(9-21-3)24-18(27-15)16-11(2)22-19(20)25-17(16)23-13-7-6-12(8-13)10-26/h4,9,12-13,26H,1,5-8,10H2,2-3H3,(H3,20,22,23,25)/b21-9+.
What are the key properties of [3-[[2-amino-6-methyl-5-[4-(methyliminomethyl)-5-prop-2-enyl-1,3-thiazol-2-yl]pyrimidin-4-yl]amino]cyclopentyl]methanol?
[3-[[2-amino-6-methyl-5-[4-(methyliminomethyl)-5-prop-2-enyl-1,3-thiazol-2-yl]pyrimidin-4-yl]amino]cyclopentyl]methanol has a molecular weight of 386.53 g/mol, XLogP of 2.84, 7 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[[2-amino-6-methyl-5-[4-(methyliminomethyl)-5-prop-2-enyl-1,3-thiazol-2-yl]pyrimidin-4-yl]amino]cyclopentyl]methanol is sourced from PubChem (CID 143945484), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).