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

C16H24N6 — CID 56718034

IUPACN,2-dimethyl-6-piperidin-3-yl-N-[2-(1H-pyrazol-4-yl)ethyl]pyrimidin-4-amine
SMILESCc1nc(C2CCCNC2)cc(N(C)CCc2cn[nH]c2)n1
InChIInChI=1S/C16H24N6/c1-12-20-15(14-4-3-6-17-11-14)8-16(21-12)22(2)7-5-13-9-18-19-10-13/h8-10,14,17H,3-7,11H2,1-2H3,(H,18,19)
InChIKeyWCEYVEYOPRZIQT-UHFFFAOYSA-N
MW300.41 g/mol
LogP1.65
Rot. Bonds5

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

N,2-dimethyl-6-piperidin-3-yl-N-[2-(1H-pyrazol-4-yl)ethyl]pyrimidin-4-amine (PubChem CID 56718034) has the molecular formula C16H24N6 and a molecular weight of 300.41 g/mol. Its IUPAC name is N,2-dimethyl-6-piperidin-3-yl-N-[2-(1H-pyrazol-4-yl)ethyl]pyrimidin-4-amine.

Molecular Properties

Compound NameN,2-dimethyl-6-piperidin-3-yl-N-[2-(1H-pyrazol-4-yl)ethyl]pyrimidin-4-amine
PubChem CID56718034
Molecular FormulaC16H24N6
Molecular Weight300.41 g/mol
Exact Mass300.21
IUPAC NameN,2-dimethyl-6-piperidin-3-yl-N-[2-(1H-pyrazol-4-yl)ethyl]pyrimidin-4-amine
SMILESCc1nc(C2CCCNC2)cc(N(C)CCc2cn[nH]c2)n1
InChIInChI=1S/C16H24N6/c1-12-20-15(14-4-3-6-17-11-14)8-16(21-12)22(2)7-5-13-9-18-19-10-13/h8-10,14,17H,3-7,11H2,1-2H3,(H,18,19)
InChIKeyWCEYVEYOPRZIQT-UHFFFAOYSA-N
XLogP1.65
TPSA69.73 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.41
LogP ≤ 51.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N,2-dimethyl-6-piperidin-3-yl-N-[2-(1H-pyrazol-4-yl)ethyl]pyrimidin-4-amine?
The IUPAC name of N,2-dimethyl-6-piperidin-3-yl-N-[2-(1H-pyrazol-4-yl)ethyl]pyrimidin-4-amine (CID 56718034) is N,2-dimethyl-6-piperidin-3-yl-N-[2-(1H-pyrazol-4-yl)ethyl]pyrimidin-4-amine.
What is the SMILES notation for N,2-dimethyl-6-piperidin-3-yl-N-[2-(1H-pyrazol-4-yl)ethyl]pyrimidin-4-amine?
The canonical SMILES for N,2-dimethyl-6-piperidin-3-yl-N-[2-(1H-pyrazol-4-yl)ethyl]pyrimidin-4-amine is Cc1nc(C2CCCNC2)cc(N(C)CCc2cn[nH]c2)n1.
What is the InChIKey of N,2-dimethyl-6-piperidin-3-yl-N-[2-(1H-pyrazol-4-yl)ethyl]pyrimidin-4-amine?
The InChIKey is WCEYVEYOPRZIQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N6/c1-12-20-15(14-4-3-6-17-11-14)8-16(21-12)22(2)7-5-13-9-18-19-10-13/h8-10,14,17H,3-7,11H2,1-2H3,(H,18,19).
What are the key properties of N,2-dimethyl-6-piperidin-3-yl-N-[2-(1H-pyrazol-4-yl)ethyl]pyrimidin-4-amine?
N,2-dimethyl-6-piperidin-3-yl-N-[2-(1H-pyrazol-4-yl)ethyl]pyrimidin-4-amine has a molecular weight of 300.41 g/mol, XLogP of 1.65, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N,2-dimethyl-6-piperidin-3-yl-N-[2-(1H-pyrazol-4-yl)ethyl]pyrimidin-4-amine is sourced from PubChem (CID 56718034), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).