4-(1,3-dimethylpyrazol-4-yl)-N-(3,3-dimethyl-1-pyridin-3-ylbutyl)pyrimidin-2-amine

C20H26N6 — CID 46990527

IUPAC4-(1,3-dimethylpyrazol-4-yl)-N-(3,3-dimethyl-1-pyridin-3-ylbutyl)pyrimidin-2-amine
SMILESCc1nn(C)cc1-c1ccnc(NC(CC(C)(C)C)c2cccnc2)n1
InChIInChI=1S/C20H26N6/c1-14-16(13-26(5)25-14)17-8-10-22-19(23-17)24-18(11-20(2,3)4)15-7-6-9-21-12-15/h6-10,12-13,18H,11H2,1-5H3,(H,22,23,24)
InChIKeyWSCLGWHXYHKEKZ-UHFFFAOYSA-N
MW350.47 g/mol
LogP4.17
Rot. Bonds5

About 4-(1,3-dimethylpyrazol-4-yl)-N-(3,3-dimethyl-1-pyridin-3-ylbutyl)pyrimidin-2-amine

4-(1,3-dimethylpyrazol-4-yl)-N-(3,3-dimethyl-1-pyridin-3-ylbutyl)pyrimidin-2-amine (PubChem CID 46990527) has the molecular formula C20H26N6 and a molecular weight of 350.47 g/mol. Its IUPAC name is 4-(1,3-dimethylpyrazol-4-yl)-N-(3,3-dimethyl-1-pyridin-3-ylbutyl)pyrimidin-2-amine.

Molecular Properties

Compound Name4-(1,3-dimethylpyrazol-4-yl)-N-(3,3-dimethyl-1-pyridin-3-ylbutyl)pyrimidin-2-amine
PubChem CID46990527
Molecular FormulaC20H26N6
Molecular Weight350.47 g/mol
Exact Mass350.22
IUPAC Name4-(1,3-dimethylpyrazol-4-yl)-N-(3,3-dimethyl-1-pyridin-3-ylbutyl)pyrimidin-2-amine
SMILESCc1nn(C)cc1-c1ccnc(NC(CC(C)(C)C)c2cccnc2)n1
InChIInChI=1S/C20H26N6/c1-14-16(13-26(5)25-14)17-8-10-22-19(23-17)24-18(11-20(2,3)4)15-7-6-9-21-12-15/h6-10,12-13,18H,11H2,1-5H3,(H,22,23,24)
InChIKeyWSCLGWHXYHKEKZ-UHFFFAOYSA-N
XLogP4.17
TPSA68.52 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.47
LogP ≤ 54.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-(1,3-dimethylpyrazol-4-yl)-N-(3,3-dimethyl-1-pyridin-3-ylbutyl)pyrimidin-2-amine?
The IUPAC name of 4-(1,3-dimethylpyrazol-4-yl)-N-(3,3-dimethyl-1-pyridin-3-ylbutyl)pyrimidin-2-amine (CID 46990527) is 4-(1,3-dimethylpyrazol-4-yl)-N-(3,3-dimethyl-1-pyridin-3-ylbutyl)pyrimidin-2-amine.
What is the SMILES notation for 4-(1,3-dimethylpyrazol-4-yl)-N-(3,3-dimethyl-1-pyridin-3-ylbutyl)pyrimidin-2-amine?
The canonical SMILES for 4-(1,3-dimethylpyrazol-4-yl)-N-(3,3-dimethyl-1-pyridin-3-ylbutyl)pyrimidin-2-amine is Cc1nn(C)cc1-c1ccnc(NC(CC(C)(C)C)c2cccnc2)n1.
What is the InChIKey of 4-(1,3-dimethylpyrazol-4-yl)-N-(3,3-dimethyl-1-pyridin-3-ylbutyl)pyrimidin-2-amine?
The InChIKey is WSCLGWHXYHKEKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N6/c1-14-16(13-26(5)25-14)17-8-10-22-19(23-17)24-18(11-20(2,3)4)15-7-6-9-21-12-15/h6-10,12-13,18H,11H2,1-5H3,(H,22,23,24).
What are the key properties of 4-(1,3-dimethylpyrazol-4-yl)-N-(3,3-dimethyl-1-pyridin-3-ylbutyl)pyrimidin-2-amine?
4-(1,3-dimethylpyrazol-4-yl)-N-(3,3-dimethyl-1-pyridin-3-ylbutyl)pyrimidin-2-amine has a molecular weight of 350.47 g/mol, XLogP of 4.17, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1,3-dimethylpyrazol-4-yl)-N-(3,3-dimethyl-1-pyridin-3-ylbutyl)pyrimidin-2-amine is sourced from PubChem (CID 46990527), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).