N-cyclopropyl-5-methyl-2-(2-methylcyclopropyl)-6-(4-methylpiperidin-1-yl)pyrimidin-4-amine

C18H28N4 — CID 69036762

IUPACN-cyclopropyl-5-methyl-2-(2-methylcyclopropyl)-6-(4-methylpiperidin-1-yl)pyrimidin-4-amine
SMILESCc1c(NC2CC2)nc(C2CC2C)nc1N1CCC(C)CC1
InChIInChI=1S/C18H28N4/c1-11-6-8-22(9-7-11)18-13(3)16(19-14-4-5-14)20-17(21-18)15-10-12(15)2/h11-12,14-15H,4-10H2,1-3H3,(H,19,20,21)
InChIKeyZKDKQADSQHFQCS-UHFFFAOYSA-N
MW300.45 g/mol
LogP3.72
Rot. Bonds4

About N-cyclopropyl-5-methyl-2-(2-methylcyclopropyl)-6-(4-methylpiperidin-1-yl)pyrimidin-4-amine

N-cyclopropyl-5-methyl-2-(2-methylcyclopropyl)-6-(4-methylpiperidin-1-yl)pyrimidin-4-amine (PubChem CID 69036762) has the molecular formula C18H28N4 and a molecular weight of 300.45 g/mol. Its IUPAC name is N-cyclopropyl-5-methyl-2-(2-methylcyclopropyl)-6-(4-methylpiperidin-1-yl)pyrimidin-4-amine.

Molecular Properties

Compound NameN-cyclopropyl-5-methyl-2-(2-methylcyclopropyl)-6-(4-methylpiperidin-1-yl)pyrimidin-4-amine
PubChem CID69036762
Molecular FormulaC18H28N4
Molecular Weight300.45 g/mol
Exact Mass300.23
IUPAC NameN-cyclopropyl-5-methyl-2-(2-methylcyclopropyl)-6-(4-methylpiperidin-1-yl)pyrimidin-4-amine
SMILESCc1c(NC2CC2)nc(C2CC2C)nc1N1CCC(C)CC1
InChIInChI=1S/C18H28N4/c1-11-6-8-22(9-7-11)18-13(3)16(19-14-4-5-14)20-17(21-18)15-10-12(15)2/h11-12,14-15H,4-10H2,1-3H3,(H,19,20,21)
InChIKeyZKDKQADSQHFQCS-UHFFFAOYSA-N
XLogP3.72
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.45
LogP ≤ 53.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-5-methyl-2-(2-methylcyclopropyl)-6-(4-methylpiperidin-1-yl)pyrimidin-4-amine?
The IUPAC name of N-cyclopropyl-5-methyl-2-(2-methylcyclopropyl)-6-(4-methylpiperidin-1-yl)pyrimidin-4-amine (CID 69036762) is N-cyclopropyl-5-methyl-2-(2-methylcyclopropyl)-6-(4-methylpiperidin-1-yl)pyrimidin-4-amine.
What is the SMILES notation for N-cyclopropyl-5-methyl-2-(2-methylcyclopropyl)-6-(4-methylpiperidin-1-yl)pyrimidin-4-amine?
The canonical SMILES for N-cyclopropyl-5-methyl-2-(2-methylcyclopropyl)-6-(4-methylpiperidin-1-yl)pyrimidin-4-amine is Cc1c(NC2CC2)nc(C2CC2C)nc1N1CCC(C)CC1.
What is the InChIKey of N-cyclopropyl-5-methyl-2-(2-methylcyclopropyl)-6-(4-methylpiperidin-1-yl)pyrimidin-4-amine?
The InChIKey is ZKDKQADSQHFQCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N4/c1-11-6-8-22(9-7-11)18-13(3)16(19-14-4-5-14)20-17(21-18)15-10-12(15)2/h11-12,14-15H,4-10H2,1-3H3,(H,19,20,21).
What are the key properties of N-cyclopropyl-5-methyl-2-(2-methylcyclopropyl)-6-(4-methylpiperidin-1-yl)pyrimidin-4-amine?
N-cyclopropyl-5-methyl-2-(2-methylcyclopropyl)-6-(4-methylpiperidin-1-yl)pyrimidin-4-amine has a molecular weight of 300.45 g/mol, XLogP of 3.72, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-5-methyl-2-(2-methylcyclopropyl)-6-(4-methylpiperidin-1-yl)pyrimidin-4-amine is sourced from PubChem (CID 69036762), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).