[4-[cyclopropyl-[6-(dimethylamino)pyrimidin-4-yl]amino]piperidin-1-yl]-(1,3-thiazol-4-yl)methanone

C18H24N6OS — CID 126891440

IUPAC[4-[cyclopropyl-[6-(dimethylamino)pyrimidin-4-yl]amino]piperidin-1-yl]-(1,3-thiazol-4-yl)methanone
SMILESCN(C)c1cc(N(C2CC2)C2CCN(C(=O)c3cscn3)CC2)ncn1
InChIInChI=1S/C18H24N6OS/c1-22(2)16-9-17(20-11-19-16)24(13-3-4-13)14-5-7-23(8-6-14)18(25)15-10-26-12-21-15/h9-14H,3-8H2,1-2H3
InChIKeyMYMPGNJSYFOXRQ-UHFFFAOYSA-N
MW372.50 g/mol
LogP2.27
Rot. Bonds5

About [4-[cyclopropyl-[6-(dimethylamino)pyrimidin-4-yl]amino]piperidin-1-yl]-(1,3-thiazol-4-yl)methanone

[4-[cyclopropyl-[6-(dimethylamino)pyrimidin-4-yl]amino]piperidin-1-yl]-(1,3-thiazol-4-yl)methanone (PubChem CID 126891440) has the molecular formula C18H24N6OS and a molecular weight of 372.50 g/mol. Its IUPAC name is [4-[cyclopropyl-[6-(dimethylamino)pyrimidin-4-yl]amino]piperidin-1-yl]-(1,3-thiazol-4-yl)methanone.

Molecular Properties

Compound Name[4-[cyclopropyl-[6-(dimethylamino)pyrimidin-4-yl]amino]piperidin-1-yl]-(1,3-thiazol-4-yl)methanone
PubChem CID126891440
Molecular FormulaC18H24N6OS
Molecular Weight372.50 g/mol
Exact Mass372.17
IUPAC Name[4-[cyclopropyl-[6-(dimethylamino)pyrimidin-4-yl]amino]piperidin-1-yl]-(1,3-thiazol-4-yl)methanone
SMILESCN(C)c1cc(N(C2CC2)C2CCN(C(=O)c3cscn3)CC2)ncn1
InChIInChI=1S/C18H24N6OS/c1-22(2)16-9-17(20-11-19-16)24(13-3-4-13)14-5-7-23(8-6-14)18(25)15-10-26-12-21-15/h9-14H,3-8H2,1-2H3
InChIKeyMYMPGNJSYFOXRQ-UHFFFAOYSA-N
XLogP2.27
TPSA65.46 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.50
LogP ≤ 52.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

[4-(dimethylamino)piperidin-1-yl]-(1,3-thiazol-4-yl)methanone
CID 63037207
2,1,3-benzothiadiazol-5-yl-[4-[cyclopropyl-[6-(dimethylamino)pyrimidin-4-yl]amino]piperidin-1-yl]methanone
CID 126891389
[4-[cyclopropyl-(6-methylpyrimidin-4-yl)amino]piperidin-1-yl]-[6-(dimethylamino)pyridazin-3-yl]methanone
CID 126890444
[4-[cyclopropyl-[6-(trifluoromethyl)pyrimidin-4-yl]amino]piperidin-1-yl]-[6-(dimethylamino)pyridazin-3-yl]methanone
CID 126890824
[(6S)-6-[[6-(dimethylamino)pyrimidin-4-yl]methyl]-1,4-oxazepan-4-yl]-(1,3-thiazol-4-yl)methanone
CID 95848122
[6-[[6-(dimethylamino)pyrimidin-4-yl]methyl]-1,4-oxazepan-4-yl]-(1,3-thiazol-4-yl)methanone
CID 110272129
[(4S)-4-[[5-(dimethylamino)pyrazin-2-yl]methyl]azepan-1-yl]-(1,3-thiazol-4-yl)methanone
CID 124939718
[(3S)-3-methylpyrrolidin-1-yl]-(1,3-thiazol-4-yl)methanone
CID 143704110
cyclopropyl-[4-(1,3-thiazole-4-carbonyl)piperazin-1-yl]methanone
CID 63049768
[4-[cyclopropyl-(6-methylpyrimidin-4-yl)amino]piperidin-1-yl]-(2-methyl-1,3-oxazol-4-yl)methanone
CID 126890461
azocan-1-yl(1,3-thiazol-4-yl)methanone
CID 62045313
[(3R)-3-[4-(dimethylamino)-6-methyl-2-pyridinyl]pyrrolidin-1-yl]-(1,3-thiazol-4-yl)methanone
CID 95845523

Frequently Asked Questions

What is the IUPAC name of [4-[cyclopropyl-[6-(dimethylamino)pyrimidin-4-yl]amino]piperidin-1-yl]-(1,3-thiazol-4-yl)methanone?
The IUPAC name of [4-[cyclopropyl-[6-(dimethylamino)pyrimidin-4-yl]amino]piperidin-1-yl]-(1,3-thiazol-4-yl)methanone (CID 126891440) is [4-[cyclopropyl-[6-(dimethylamino)pyrimidin-4-yl]amino]piperidin-1-yl]-(1,3-thiazol-4-yl)methanone.
What is the SMILES notation for [4-[cyclopropyl-[6-(dimethylamino)pyrimidin-4-yl]amino]piperidin-1-yl]-(1,3-thiazol-4-yl)methanone?
The canonical SMILES for [4-[cyclopropyl-[6-(dimethylamino)pyrimidin-4-yl]amino]piperidin-1-yl]-(1,3-thiazol-4-yl)methanone is CN(C)c1cc(N(C2CC2)C2CCN(C(=O)c3cscn3)CC2)ncn1.
What is the InChIKey of [4-[cyclopropyl-[6-(dimethylamino)pyrimidin-4-yl]amino]piperidin-1-yl]-(1,3-thiazol-4-yl)methanone?
The InChIKey is MYMPGNJSYFOXRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N6OS/c1-22(2)16-9-17(20-11-19-16)24(13-3-4-13)14-5-7-23(8-6-14)18(25)15-10-26-12-21-15/h9-14H,3-8H2,1-2H3.
What are the key properties of [4-[cyclopropyl-[6-(dimethylamino)pyrimidin-4-yl]amino]piperidin-1-yl]-(1,3-thiazol-4-yl)methanone?
[4-[cyclopropyl-[6-(dimethylamino)pyrimidin-4-yl]amino]piperidin-1-yl]-(1,3-thiazol-4-yl)methanone has a molecular weight of 372.50 g/mol, XLogP of 2.27, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[cyclopropyl-[6-(dimethylamino)pyrimidin-4-yl]amino]piperidin-1-yl]-(1,3-thiazol-4-yl)methanone is sourced from PubChem (CID 126891440), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).