2-[4-[[5-amino-4-[[(3S)-oxolan-3-yl]amino]-2-pyridinyl]amino]cyclohexyl]propan-2-ol

C18H30N4O2 — CID 141369484

IUPAC2-[4-[[5-amino-4-[[(3S)-oxolan-3-yl]amino]-2-pyridinyl]amino]cyclohexyl]propan-2-ol
SMILESCC(C)(O)C1CCC(Nc2cc(N[C@H]3CCOC3)c(N)cn2)CC1
InChIInChI=1S/C18H30N4O2/c1-18(2,23)12-3-5-13(6-4-12)22-17-9-16(15(19)10-20-17)21-14-7-8-24-11-14/h9-10,12-14,23H,3-8,11,19H2,1-2H3,(H2,20,21,22)/t12?,13?,14-/m0/s1
InChIKeyRYAOFGCBFFDZNE-RUXDESIVSA-N
MW334.46 g/mol
LogP2.61
Rot. Bonds5

About 2-[4-[[5-amino-4-[[(3S)-oxolan-3-yl]amino]-2-pyridinyl]amino]cyclohexyl]propan-2-ol

2-[4-[[5-amino-4-[[(3S)-oxolan-3-yl]amino]-2-pyridinyl]amino]cyclohexyl]propan-2-ol (PubChem CID 141369484) has the molecular formula C18H30N4O2 and a molecular weight of 334.46 g/mol. Its IUPAC name is 2-[4-[[5-amino-4-[[(3S)-oxolan-3-yl]amino]-2-pyridinyl]amino]cyclohexyl]propan-2-ol.

Molecular Properties

Compound Name2-[4-[[5-amino-4-[[(3S)-oxolan-3-yl]amino]-2-pyridinyl]amino]cyclohexyl]propan-2-ol
PubChem CID141369484
Molecular FormulaC18H30N4O2
Molecular Weight334.46 g/mol
Exact Mass334.24
IUPAC Name2-[4-[[5-amino-4-[[(3S)-oxolan-3-yl]amino]-2-pyridinyl]amino]cyclohexyl]propan-2-ol
SMILESCC(C)(O)C1CCC(Nc2cc(N[C@H]3CCOC3)c(N)cn2)CC1
InChIInChI=1S/C18H30N4O2/c1-18(2,23)12-3-5-13(6-4-12)22-17-9-16(15(19)10-20-17)21-14-7-8-24-11-14/h9-10,12-14,23H,3-8,11,19H2,1-2H3,(H2,20,21,22)/t12?,13?,14-/m0/s1
InChIKeyRYAOFGCBFFDZNE-RUXDESIVSA-N
XLogP2.61
TPSA92.43 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.46
LogP ≤ 52.61
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

Analyze 2-[4-[[5-amino-4-[[(3S)-oxolan-3-yl]amino]-2-pyridinyl]amino]cyclohexyl]propan-2-ol with MolForge

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Related Compounds

6-tert-butyl-N-[(3S)-oxolan-3-yl]pyrimidin-4-amine
CID 126724583
4-N-(oxolan-3-yl)pyridine-3,4-diamine
CID 80717720
2-N-(oxolan-3-yl)pyridine-2,4-diamine
CID 80717438
4-[[5-amino-2-[4-(2-hydroxypropan-2-yl)piperidin-1-yl]-4-pyridinyl]amino]-N-propan-2-ylcyclohexane-1-carboxamide
CID 66728446
2-[3-[[5-(1,3-benzothiazol-2-yl)-2-(cyclobutylamino)-4-pyridinyl]amino]cyclopentyl]propan-2-ol
CID 137448020
5-tert-butyl-N-(oxolan-3-yl)pyrimidin-2-amine
CID 169018423
tert-butyl N-[4-[(5-amino-2-chloro-4-pyridinyl)amino]cyclohexyl]carbamate
CID 163220169
methane;2-[4-[[9-[(3S)-oxolan-3-yl]-8-(2,4,6-trifluoroanilino)purin-2-yl]amino]cyclohexyl]propan-2-ol
CID 157087166
2-N-(oxolan-3-yl)pyrazine-2,6-diamine
CID 80714757
ethyl 6-(oxolan-3-ylamino)pyridine-3-carboxylate
CID 80712830
4-amino-N-methyl-3-(oxolan-3-ylamino)benzenesulfonamide
CID 82901171
6-ethoxy-N-(oxolan-3-yl)pyrimidin-4-amine
CID 80713528

Frequently Asked Questions

What is the IUPAC name of 2-[4-[[5-amino-4-[[(3S)-oxolan-3-yl]amino]-2-pyridinyl]amino]cyclohexyl]propan-2-ol?
The IUPAC name of 2-[4-[[5-amino-4-[[(3S)-oxolan-3-yl]amino]-2-pyridinyl]amino]cyclohexyl]propan-2-ol (CID 141369484) is 2-[4-[[5-amino-4-[[(3S)-oxolan-3-yl]amino]-2-pyridinyl]amino]cyclohexyl]propan-2-ol.
What is the SMILES notation for 2-[4-[[5-amino-4-[[(3S)-oxolan-3-yl]amino]-2-pyridinyl]amino]cyclohexyl]propan-2-ol?
The canonical SMILES for 2-[4-[[5-amino-4-[[(3S)-oxolan-3-yl]amino]-2-pyridinyl]amino]cyclohexyl]propan-2-ol is CC(C)(O)C1CCC(Nc2cc(N[C@H]3CCOC3)c(N)cn2)CC1.
What is the InChIKey of 2-[4-[[5-amino-4-[[(3S)-oxolan-3-yl]amino]-2-pyridinyl]amino]cyclohexyl]propan-2-ol?
The InChIKey is RYAOFGCBFFDZNE-RUXDESIVSA-N. The full InChI is InChI=1S/C18H30N4O2/c1-18(2,23)12-3-5-13(6-4-12)22-17-9-16(15(19)10-20-17)21-14-7-8-24-11-14/h9-10,12-14,23H,3-8,11,19H2,1-2H3,(H2,20,21,22)/t12?,13?,14-/m0/s1.
What are the key properties of 2-[4-[[5-amino-4-[[(3S)-oxolan-3-yl]amino]-2-pyridinyl]amino]cyclohexyl]propan-2-ol?
2-[4-[[5-amino-4-[[(3S)-oxolan-3-yl]amino]-2-pyridinyl]amino]cyclohexyl]propan-2-ol has a molecular weight of 334.46 g/mol, XLogP of 2.61, 5 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[[5-amino-4-[[(3S)-oxolan-3-yl]amino]-2-pyridinyl]amino]cyclohexyl]propan-2-ol is sourced from PubChem (CID 141369484), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).