4-cyclobutyl-6-methyl-N-[3-(4-methylpiperazin-1-yl)butyl]pyrimidin-2-amine

C18H31N5 — CID 56861895

IUPAC4-cyclobutyl-6-methyl-N-[3-(4-methylpiperazin-1-yl)butyl]pyrimidin-2-amine
SMILESCc1cc(C2CCC2)nc(NCCC(C)N2CCN(C)CC2)n1
InChIInChI=1S/C18H31N5/c1-14-13-17(16-5-4-6-16)21-18(20-14)19-8-7-15(2)23-11-9-22(3)10-12-23/h13,15-16H,4-12H2,1-3H3,(H,19,20,21)
InChIKeyJVLOJHQFNHSFKJ-UHFFFAOYSA-N
MW317.48 g/mol
LogP2.49
Rot. Bonds6

About 4-cyclobutyl-6-methyl-N-[3-(4-methylpiperazin-1-yl)butyl]pyrimidin-2-amine

4-cyclobutyl-6-methyl-N-[3-(4-methylpiperazin-1-yl)butyl]pyrimidin-2-amine (PubChem CID 56861895) has the molecular formula C18H31N5 and a molecular weight of 317.48 g/mol. Its IUPAC name is 4-cyclobutyl-6-methyl-N-[3-(4-methylpiperazin-1-yl)butyl]pyrimidin-2-amine.

Molecular Properties

Compound Name4-cyclobutyl-6-methyl-N-[3-(4-methylpiperazin-1-yl)butyl]pyrimidin-2-amine
PubChem CID56861895
Molecular FormulaC18H31N5
Molecular Weight317.48 g/mol
Exact Mass317.26
IUPAC Name4-cyclobutyl-6-methyl-N-[3-(4-methylpiperazin-1-yl)butyl]pyrimidin-2-amine
SMILESCc1cc(C2CCC2)nc(NCCC(C)N2CCN(C)CC2)n1
InChIInChI=1S/C18H31N5/c1-14-13-17(16-5-4-6-16)21-18(20-14)19-8-7-15(2)23-11-9-22(3)10-12-23/h13,15-16H,4-12H2,1-3H3,(H,19,20,21)
InChIKeyJVLOJHQFNHSFKJ-UHFFFAOYSA-N
XLogP2.49
TPSA44.29 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.48
LogP ≤ 52.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-cyclobutyl-6-methyl-N-[3-(4-methylpiperazin-1-yl)butyl]pyrimidin-2-amine?
The IUPAC name of 4-cyclobutyl-6-methyl-N-[3-(4-methylpiperazin-1-yl)butyl]pyrimidin-2-amine (CID 56861895) is 4-cyclobutyl-6-methyl-N-[3-(4-methylpiperazin-1-yl)butyl]pyrimidin-2-amine.
What is the SMILES notation for 4-cyclobutyl-6-methyl-N-[3-(4-methylpiperazin-1-yl)butyl]pyrimidin-2-amine?
The canonical SMILES for 4-cyclobutyl-6-methyl-N-[3-(4-methylpiperazin-1-yl)butyl]pyrimidin-2-amine is Cc1cc(C2CCC2)nc(NCCC(C)N2CCN(C)CC2)n1.
What is the InChIKey of 4-cyclobutyl-6-methyl-N-[3-(4-methylpiperazin-1-yl)butyl]pyrimidin-2-amine?
The InChIKey is JVLOJHQFNHSFKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H31N5/c1-14-13-17(16-5-4-6-16)21-18(20-14)19-8-7-15(2)23-11-9-22(3)10-12-23/h13,15-16H,4-12H2,1-3H3,(H,19,20,21).
What are the key properties of 4-cyclobutyl-6-methyl-N-[3-(4-methylpiperazin-1-yl)butyl]pyrimidin-2-amine?
4-cyclobutyl-6-methyl-N-[3-(4-methylpiperazin-1-yl)butyl]pyrimidin-2-amine has a molecular weight of 317.48 g/mol, XLogP of 2.49, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-cyclobutyl-6-methyl-N-[3-(4-methylpiperazin-1-yl)butyl]pyrimidin-2-amine is sourced from PubChem (CID 56861895), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).