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

C20H30N6O — CID 110096699

IUPAC2,2-dimethyl-1-[4-[[2-methyl-6-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-4-yl]methyl]piperidin-1-yl]propan-1-one
SMILESCc1nc(CC2CCN(C(=O)C(C)(C)C)CC2)cc(Nc2cc(C)[nH]n2)n1
InChIInChI=1S/C20H30N6O/c1-13-10-18(25-24-13)23-17-12-16(21-14(2)22-17)11-15-6-8-26(9-7-15)19(27)20(3,4)5/h10,12,15H,6-9,11H2,1-5H3,(H2,21,22,23,24,25)
InChIKeyYSDLZAXPBMMTCT-UHFFFAOYSA-N
MW370.50 g/mol
LogP3.39
Rot. Bonds4

About 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

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 (PubChem CID 110096699) has the molecular formula C20H30N6O and a molecular weight of 370.50 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name2,2-dimethyl-1-[4-[[2-methyl-6-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-4-yl]methyl]piperidin-1-yl]propan-1-one
PubChem CID110096699
Molecular FormulaC20H30N6O
Molecular Weight370.50 g/mol
Exact Mass370.25
IUPAC Name2,2-dimethyl-1-[4-[[2-methyl-6-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-4-yl]methyl]piperidin-1-yl]propan-1-one
SMILESCc1nc(CC2CCN(C(=O)C(C)(C)C)CC2)cc(Nc2cc(C)[nH]n2)n1
InChIInChI=1S/C20H30N6O/c1-13-10-18(25-24-13)23-17-12-16(21-14(2)22-17)11-15-6-8-26(9-7-15)19(27)20(3,4)5/h10,12,15H,6-9,11H2,1-5H3,(H2,21,22,23,24,25)
InChIKeyYSDLZAXPBMMTCT-UHFFFAOYSA-N
XLogP3.39
TPSA86.80 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.50
LogP ≤ 53.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 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 with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is Cc1nc(CC2CCN(C(=O)C(C)(C)C)CC2)cc(Nc2cc(C)[nH]n2)n1.
What is the InChIKey of 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?
The InChIKey is YSDLZAXPBMMTCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H30N6O/c1-13-10-18(25-24-13)23-17-12-16(21-14(2)22-17)11-15-6-8-26(9-7-15)19(27)20(3,4)5/h10,12,15H,6-9,11H2,1-5H3,(H2,21,22,23,24,25).
What are the key properties of 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?
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 has a molecular weight of 370.50 g/mol, XLogP of 3.39, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 110096699), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).