N,4-dimethyl-6-[(3R)-3-(4-phenyl-1H-pyrazol-5-yl)piperidin-1-yl]pyrimidin-2-amine

C20H24N6 — CID 95194028

IUPACN,4-dimethyl-6-[(3R)-3-(4-phenyl-1H-pyrazol-5-yl)piperidin-1-yl]pyrimidin-2-amine
SMILESCNc1nc(C)cc(N2CCC[C@@H](c3[nH]ncc3-c3ccccc3)C2)n1
InChIInChI=1S/C20H24N6/c1-14-11-18(24-20(21-2)23-14)26-10-6-9-16(13-26)19-17(12-22-25-19)15-7-4-3-5-8-15/h3-5,7-8,11-12,16H,6,9-10,13H2,1-2H3,(H,22,25)(H,21,23,24)/t16-/m1/s1
InChIKeyKSMDIZRSDAJNPH-MRXNPFEDSA-N
MW348.45 g/mol
LogP3.60
Rot. Bonds4

About N,4-dimethyl-6-[(3R)-3-(4-phenyl-1H-pyrazol-5-yl)piperidin-1-yl]pyrimidin-2-amine

N,4-dimethyl-6-[(3R)-3-(4-phenyl-1H-pyrazol-5-yl)piperidin-1-yl]pyrimidin-2-amine (PubChem CID 95194028) has the molecular formula C20H24N6 and a molecular weight of 348.45 g/mol. Its IUPAC name is N,4-dimethyl-6-[(3R)-3-(4-phenyl-1H-pyrazol-5-yl)piperidin-1-yl]pyrimidin-2-amine.

Molecular Properties

Compound NameN,4-dimethyl-6-[(3R)-3-(4-phenyl-1H-pyrazol-5-yl)piperidin-1-yl]pyrimidin-2-amine
PubChem CID95194028
Molecular FormulaC20H24N6
Molecular Weight348.45 g/mol
Exact Mass348.21
IUPAC NameN,4-dimethyl-6-[(3R)-3-(4-phenyl-1H-pyrazol-5-yl)piperidin-1-yl]pyrimidin-2-amine
SMILESCNc1nc(C)cc(N2CCC[C@@H](c3[nH]ncc3-c3ccccc3)C2)n1
InChIInChI=1S/C20H24N6/c1-14-11-18(24-20(21-2)23-14)26-10-6-9-16(13-26)19-17(12-22-25-19)15-7-4-3-5-8-15/h3-5,7-8,11-12,16H,6,9-10,13H2,1-2H3,(H,22,25)(H,21,23,24)/t16-/m1/s1
InChIKeyKSMDIZRSDAJNPH-MRXNPFEDSA-N
XLogP3.60
TPSA69.73 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.45
LogP ≤ 53.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N,4-dimethyl-6-[(3R)-3-(4-phenyl-1H-pyrazol-5-yl)piperidin-1-yl]pyrimidin-2-amine?
The IUPAC name of N,4-dimethyl-6-[(3R)-3-(4-phenyl-1H-pyrazol-5-yl)piperidin-1-yl]pyrimidin-2-amine (CID 95194028) is N,4-dimethyl-6-[(3R)-3-(4-phenyl-1H-pyrazol-5-yl)piperidin-1-yl]pyrimidin-2-amine.
What is the SMILES notation for N,4-dimethyl-6-[(3R)-3-(4-phenyl-1H-pyrazol-5-yl)piperidin-1-yl]pyrimidin-2-amine?
The canonical SMILES for N,4-dimethyl-6-[(3R)-3-(4-phenyl-1H-pyrazol-5-yl)piperidin-1-yl]pyrimidin-2-amine is CNc1nc(C)cc(N2CCC[C@@H](c3[nH]ncc3-c3ccccc3)C2)n1.
What is the InChIKey of N,4-dimethyl-6-[(3R)-3-(4-phenyl-1H-pyrazol-5-yl)piperidin-1-yl]pyrimidin-2-amine?
The InChIKey is KSMDIZRSDAJNPH-MRXNPFEDSA-N. The full InChI is InChI=1S/C20H24N6/c1-14-11-18(24-20(21-2)23-14)26-10-6-9-16(13-26)19-17(12-22-25-19)15-7-4-3-5-8-15/h3-5,7-8,11-12,16H,6,9-10,13H2,1-2H3,(H,22,25)(H,21,23,24)/t16-/m1/s1.
What are the key properties of N,4-dimethyl-6-[(3R)-3-(4-phenyl-1H-pyrazol-5-yl)piperidin-1-yl]pyrimidin-2-amine?
N,4-dimethyl-6-[(3R)-3-(4-phenyl-1H-pyrazol-5-yl)piperidin-1-yl]pyrimidin-2-amine has a molecular weight of 348.45 g/mol, XLogP of 3.60, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N,4-dimethyl-6-[(3R)-3-(4-phenyl-1H-pyrazol-5-yl)piperidin-1-yl]pyrimidin-2-amine is sourced from PubChem (CID 95194028), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).