N,6-dimethyl-N-(3-pyrazol-1-ylpropyl)-2-pyridin-3-ylpyrimidin-4-amine

C17H20N6 — CID 50979874

IUPACN,6-dimethyl-N-(3-pyrazol-1-ylpropyl)-2-pyridin-3-ylpyrimidin-4-amine
SMILESCc1cc(N(C)CCCn2cccn2)nc(-c2cccnc2)n1
InChIInChI=1S/C17H20N6/c1-14-12-16(21-17(20-14)15-6-3-7-18-13-15)22(2)9-5-11-23-10-4-8-19-23/h3-4,6-8,10,12-13H,5,9,11H2,1-2H3
InChIKeyAXMCNMJPQNAWKE-UHFFFAOYSA-N
MW308.39 g/mol
LogP2.57
Rot. Bonds6

About N,6-dimethyl-N-(3-pyrazol-1-ylpropyl)-2-pyridin-3-ylpyrimidin-4-amine

N,6-dimethyl-N-(3-pyrazol-1-ylpropyl)-2-pyridin-3-ylpyrimidin-4-amine (PubChem CID 50979874) has the molecular formula C17H20N6 and a molecular weight of 308.39 g/mol. Its IUPAC name is N,6-dimethyl-N-(3-pyrazol-1-ylpropyl)-2-pyridin-3-ylpyrimidin-4-amine.

Molecular Properties

Compound NameN,6-dimethyl-N-(3-pyrazol-1-ylpropyl)-2-pyridin-3-ylpyrimidin-4-amine
PubChem CID50979874
Molecular FormulaC17H20N6
Molecular Weight308.39 g/mol
Exact Mass308.17
IUPAC NameN,6-dimethyl-N-(3-pyrazol-1-ylpropyl)-2-pyridin-3-ylpyrimidin-4-amine
SMILESCc1cc(N(C)CCCn2cccn2)nc(-c2cccnc2)n1
InChIInChI=1S/C17H20N6/c1-14-12-16(21-17(20-14)15-6-3-7-18-13-15)22(2)9-5-11-23-10-4-8-19-23/h3-4,6-8,10,12-13H,5,9,11H2,1-2H3
InChIKeyAXMCNMJPQNAWKE-UHFFFAOYSA-N
XLogP2.57
TPSA59.73 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.39
LogP ≤ 52.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N,6-dimethyl-N-(3-pyrazol-1-ylpropyl)-2-pyridin-3-ylpyrimidin-4-amine?
The IUPAC name of N,6-dimethyl-N-(3-pyrazol-1-ylpropyl)-2-pyridin-3-ylpyrimidin-4-amine (CID 50979874) is N,6-dimethyl-N-(3-pyrazol-1-ylpropyl)-2-pyridin-3-ylpyrimidin-4-amine.
What is the SMILES notation for N,6-dimethyl-N-(3-pyrazol-1-ylpropyl)-2-pyridin-3-ylpyrimidin-4-amine?
The canonical SMILES for N,6-dimethyl-N-(3-pyrazol-1-ylpropyl)-2-pyridin-3-ylpyrimidin-4-amine is Cc1cc(N(C)CCCn2cccn2)nc(-c2cccnc2)n1.
What is the InChIKey of N,6-dimethyl-N-(3-pyrazol-1-ylpropyl)-2-pyridin-3-ylpyrimidin-4-amine?
The InChIKey is AXMCNMJPQNAWKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N6/c1-14-12-16(21-17(20-14)15-6-3-7-18-13-15)22(2)9-5-11-23-10-4-8-19-23/h3-4,6-8,10,12-13H,5,9,11H2,1-2H3.
What are the key properties of N,6-dimethyl-N-(3-pyrazol-1-ylpropyl)-2-pyridin-3-ylpyrimidin-4-amine?
N,6-dimethyl-N-(3-pyrazol-1-ylpropyl)-2-pyridin-3-ylpyrimidin-4-amine has a molecular weight of 308.39 g/mol, XLogP of 2.57, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N,6-dimethyl-N-(3-pyrazol-1-ylpropyl)-2-pyridin-3-ylpyrimidin-4-amine is sourced from PubChem (CID 50979874), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).