N-[4-[[2-methyl-6-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-4-yl]methyl]cyclohexyl]cyclopropanecarboxamide

C20H28N6O — CID 110096693

IUPACN-[4-[[2-methyl-6-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-4-yl]methyl]cyclohexyl]cyclopropanecarboxamide
SMILESCc1nc(CC2CCC(NC(=O)C3CC3)CC2)cc(Nc2cc(C)[nH]n2)n1
InChIInChI=1S/C20H28N6O/c1-12-9-19(26-25-12)24-18-11-17(21-13(2)22-18)10-14-3-7-16(8-4-14)23-20(27)15-5-6-15/h9,11,14-16H,3-8,10H2,1-2H3,(H,23,27)(H2,21,22,24,25,26)
InChIKeyRMOKGHJLGOENPB-UHFFFAOYSA-N
MW368.49 g/mol
LogP3.19
Rot. Bonds6

About N-[4-[[2-methyl-6-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-4-yl]methyl]cyclohexyl]cyclopropanecarboxamide

N-[4-[[2-methyl-6-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-4-yl]methyl]cyclohexyl]cyclopropanecarboxamide (PubChem CID 110096693) has the molecular formula C20H28N6O and a molecular weight of 368.49 g/mol. Its IUPAC name is N-[4-[[2-methyl-6-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-4-yl]methyl]cyclohexyl]cyclopropanecarboxamide.

Molecular Properties

Compound NameN-[4-[[2-methyl-6-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-4-yl]methyl]cyclohexyl]cyclopropanecarboxamide
PubChem CID110096693
Molecular FormulaC20H28N6O
Molecular Weight368.49 g/mol
Exact Mass368.23
IUPAC NameN-[4-[[2-methyl-6-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-4-yl]methyl]cyclohexyl]cyclopropanecarboxamide
SMILESCc1nc(CC2CCC(NC(=O)C3CC3)CC2)cc(Nc2cc(C)[nH]n2)n1
InChIInChI=1S/C20H28N6O/c1-12-9-19(26-25-12)24-18-11-17(21-13(2)22-18)10-14-3-7-16(8-4-14)23-20(27)15-5-6-15/h9,11,14-16H,3-8,10H2,1-2H3,(H,23,27)(H2,21,22,24,25,26)
InChIKeyRMOKGHJLGOENPB-UHFFFAOYSA-N
XLogP3.19
TPSA95.59 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.49
LogP ≤ 53.19
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[4-[[2-methyl-6-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-4-yl]methyl]cyclohexyl]cyclopropanecarboxamide?
The IUPAC name of N-[4-[[2-methyl-6-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-4-yl]methyl]cyclohexyl]cyclopropanecarboxamide (CID 110096693) is N-[4-[[2-methyl-6-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-4-yl]methyl]cyclohexyl]cyclopropanecarboxamide.
What is the SMILES notation for N-[4-[[2-methyl-6-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-4-yl]methyl]cyclohexyl]cyclopropanecarboxamide?
The canonical SMILES for N-[4-[[2-methyl-6-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-4-yl]methyl]cyclohexyl]cyclopropanecarboxamide is Cc1nc(CC2CCC(NC(=O)C3CC3)CC2)cc(Nc2cc(C)[nH]n2)n1.
What is the InChIKey of N-[4-[[2-methyl-6-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-4-yl]methyl]cyclohexyl]cyclopropanecarboxamide?
The InChIKey is RMOKGHJLGOENPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H28N6O/c1-12-9-19(26-25-12)24-18-11-17(21-13(2)22-18)10-14-3-7-16(8-4-14)23-20(27)15-5-6-15/h9,11,14-16H,3-8,10H2,1-2H3,(H,23,27)(H2,21,22,24,25,26).
What are the key properties of N-[4-[[2-methyl-6-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-4-yl]methyl]cyclohexyl]cyclopropanecarboxamide?
N-[4-[[2-methyl-6-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-4-yl]methyl]cyclohexyl]cyclopropanecarboxamide has a molecular weight of 368.49 g/mol, XLogP of 3.19, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[[2-methyl-6-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-4-yl]methyl]cyclohexyl]cyclopropanecarboxamide is sourced from PubChem (CID 110096693), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).