4-cyclobutyl-N,6-dimethyl-N-(2-pyridin-2-ylethyl)pyrimidin-2-amine

C17H22N4 — CID 56872569

IUPAC4-cyclobutyl-N,6-dimethyl-N-(2-pyridin-2-ylethyl)pyrimidin-2-amine
SMILESCc1cc(C2CCC2)nc(N(C)CCc2ccccn2)n1
InChIInChI=1S/C17H22N4/c1-13-12-16(14-6-5-7-14)20-17(19-13)21(2)11-9-15-8-3-4-10-18-15/h3-4,8,10,12,14H,5-7,9,11H2,1-2H3
InChIKeyGRIAEUKXJMETFU-UHFFFAOYSA-N
MW282.39 g/mol
LogP3.13
Rot. Bonds5

About 4-cyclobutyl-N,6-dimethyl-N-(2-pyridin-2-ylethyl)pyrimidin-2-amine

4-cyclobutyl-N,6-dimethyl-N-(2-pyridin-2-ylethyl)pyrimidin-2-amine (PubChem CID 56872569) has the molecular formula C17H22N4 and a molecular weight of 282.39 g/mol. Its IUPAC name is 4-cyclobutyl-N,6-dimethyl-N-(2-pyridin-2-ylethyl)pyrimidin-2-amine.

Molecular Properties

Compound Name4-cyclobutyl-N,6-dimethyl-N-(2-pyridin-2-ylethyl)pyrimidin-2-amine
PubChem CID56872569
Molecular FormulaC17H22N4
Molecular Weight282.39 g/mol
Exact Mass282.18
IUPAC Name4-cyclobutyl-N,6-dimethyl-N-(2-pyridin-2-ylethyl)pyrimidin-2-amine
SMILESCc1cc(C2CCC2)nc(N(C)CCc2ccccn2)n1
InChIInChI=1S/C17H22N4/c1-13-12-16(14-6-5-7-14)20-17(19-13)21(2)11-9-15-8-3-4-10-18-15/h3-4,8,10,12,14H,5-7,9,11H2,1-2H3
InChIKeyGRIAEUKXJMETFU-UHFFFAOYSA-N
XLogP3.13
TPSA41.91 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.39
LogP ≤ 53.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

Amprolium Hydrochloride
CID 8732
Amprolium
CID 73341
4-Phenylpyrimidine
CID 18923
4-[(E)-2-phenylethenyl]pyrimidin-2-amine
CID 46911068
2-Amino-4-phenylpyrimidine
CID 598777
Amprolium ion
CID 2178
Pik-iii
CID 67983123
5-Methyl-4-phenylpyrimidin-2-amine
CID 317238
4-(4-Phenylphenyl)pyrimidine
CID 817541
4-(Pyridin-3-yl)pyrimidin-2-amine
CID 12450582
2-(4-Methylpiperazin-1-yl)-4-phenylpyrimidine
CID 10332554
2-N-butyl-4-N-(piperidin-4-ylmethyl)-5-pyridin-2-ylpyrimidine-2,4-diamine
CID 72792975

Frequently Asked Questions

What is the IUPAC name of 4-cyclobutyl-N,6-dimethyl-N-(2-pyridin-2-ylethyl)pyrimidin-2-amine?
The IUPAC name of 4-cyclobutyl-N,6-dimethyl-N-(2-pyridin-2-ylethyl)pyrimidin-2-amine (CID 56872569) is 4-cyclobutyl-N,6-dimethyl-N-(2-pyridin-2-ylethyl)pyrimidin-2-amine.
What is the SMILES notation for 4-cyclobutyl-N,6-dimethyl-N-(2-pyridin-2-ylethyl)pyrimidin-2-amine?
The canonical SMILES for 4-cyclobutyl-N,6-dimethyl-N-(2-pyridin-2-ylethyl)pyrimidin-2-amine is Cc1cc(C2CCC2)nc(N(C)CCc2ccccn2)n1.
What is the InChIKey of 4-cyclobutyl-N,6-dimethyl-N-(2-pyridin-2-ylethyl)pyrimidin-2-amine?
The InChIKey is GRIAEUKXJMETFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N4/c1-13-12-16(14-6-5-7-14)20-17(19-13)21(2)11-9-15-8-3-4-10-18-15/h3-4,8,10,12,14H,5-7,9,11H2,1-2H3.
What are the key properties of 4-cyclobutyl-N,6-dimethyl-N-(2-pyridin-2-ylethyl)pyrimidin-2-amine?
4-cyclobutyl-N,6-dimethyl-N-(2-pyridin-2-ylethyl)pyrimidin-2-amine has a molecular weight of 282.39 g/mol, XLogP of 3.13, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-cyclobutyl-N,6-dimethyl-N-(2-pyridin-2-ylethyl)pyrimidin-2-amine is sourced from PubChem (CID 56872569), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).