N-[4-[[4-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]methyl]cyclohexyl]acetamide

C17H24N6O — CID 110096941

IUPACN-[4-[[4-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]methyl]cyclohexyl]acetamide
SMILESCC(=O)NC1CCC(Cc2nccc(Nc3cc(C)[nH]n3)n2)CC1
InChIInChI=1S/C17H24N6O/c1-11-9-17(23-22-11)21-15-7-8-18-16(20-15)10-13-3-5-14(6-4-13)19-12(2)24/h7-9,13-14H,3-6,10H2,1-2H3,(H,19,24)(H2,18,20,21,22,23)
InChIKeySYEYVIKMQRCGHB-UHFFFAOYSA-N
MW328.42 g/mol
LogP2.49
Rot. Bonds5

About N-[4-[[4-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]methyl]cyclohexyl]acetamide

N-[4-[[4-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]methyl]cyclohexyl]acetamide (PubChem CID 110096941) has the molecular formula C17H24N6O and a molecular weight of 328.42 g/mol. Its IUPAC name is N-[4-[[4-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]methyl]cyclohexyl]acetamide.

Molecular Properties

Compound NameN-[4-[[4-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]methyl]cyclohexyl]acetamide
PubChem CID110096941
Molecular FormulaC17H24N6O
Molecular Weight328.42 g/mol
Exact Mass328.20
IUPAC NameN-[4-[[4-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]methyl]cyclohexyl]acetamide
SMILESCC(=O)NC1CCC(Cc2nccc(Nc3cc(C)[nH]n3)n2)CC1
InChIInChI=1S/C17H24N6O/c1-11-9-17(23-22-11)21-15-7-8-18-16(20-15)10-13-3-5-14(6-4-13)19-12(2)24/h7-9,13-14H,3-6,10H2,1-2H3,(H,19,24)(H2,18,20,21,22,23)
InChIKeySYEYVIKMQRCGHB-UHFFFAOYSA-N
XLogP2.49
TPSA95.59 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.42
LogP ≤ 52.49
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

N-[4-[[4-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]methyl]cyclohexyl]cyclohexanecarboxamide
CID 110096944
2-[[4-(3-chloroanilino)cyclohexyl]methyl]-N-(5-methyl-1H-pyrazol-3-yl)pyrimidin-4-amine
CID 110097012
N-[4-[[2-methyl-6-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-4-yl]methyl]cyclohexyl]cyclopropanecarboxamide
CID 110096693
(3-chloro-2-fluorophenyl)-[(3R)-3-[[4-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]methyl]piperidin-1-yl]methanone
CID 124941992
[4-[[4-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]amino]cyclohexyl] carbamate
CID 175185632
1-[4-[[4-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]amino]cyclohexyl]-3-[(1R,3S)-3-(trifluoromethyl)cyclohexyl]propan-2-one
CID 163657998
1-(5-cyano-2,3-dihydro-1H-inden-2-yl)-3-[4-[[4-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]amino]cyclohexyl]urea
CID 154687364
N-[4-[4-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]sulfonylphenyl]acetamide
CID 150030312
2-ethylsulfinyl-N-(5-methyl-1H-pyrazol-3-yl)pyrimidin-4-amine
CID 166810256
2,2-dimethyl-1-[4-[[2-methyl-6-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-4-yl]methyl]piperidin-1-yl]propan-1-one
CID 110096699
[4-[[4-(4-methylpiperazin-1-yl)-6-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]methyl]piperidin-1-yl]-piperidin-4-ylmethanone
CID 110096682
N-[4-[[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]methylamino]cyclohexyl]-2-[3-(trifluoromethyl)phenyl]acetamide
CID 169002608

Frequently Asked Questions

What is the IUPAC name of N-[4-[[4-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]methyl]cyclohexyl]acetamide?
The IUPAC name of N-[4-[[4-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]methyl]cyclohexyl]acetamide (CID 110096941) is N-[4-[[4-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]methyl]cyclohexyl]acetamide.
What is the SMILES notation for N-[4-[[4-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]methyl]cyclohexyl]acetamide?
The canonical SMILES for N-[4-[[4-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]methyl]cyclohexyl]acetamide is CC(=O)NC1CCC(Cc2nccc(Nc3cc(C)[nH]n3)n2)CC1.
What is the InChIKey of N-[4-[[4-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]methyl]cyclohexyl]acetamide?
The InChIKey is SYEYVIKMQRCGHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N6O/c1-11-9-17(23-22-11)21-15-7-8-18-16(20-15)10-13-3-5-14(6-4-13)19-12(2)24/h7-9,13-14H,3-6,10H2,1-2H3,(H,19,24)(H2,18,20,21,22,23).
What are the key properties of N-[4-[[4-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]methyl]cyclohexyl]acetamide?
N-[4-[[4-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]methyl]cyclohexyl]acetamide has a molecular weight of 328.42 g/mol, XLogP of 2.49, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[[4-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]methyl]cyclohexyl]acetamide is sourced from PubChem (CID 110096941), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).