2-amino-N-[3-(4-methylpiperazin-1-yl)butyl]-6-(2-methylpropyl)pyrimidine-4-carboxamide

C18H32N6O — CID 131950985

IUPAC2-amino-N-[3-(4-methylpiperazin-1-yl)butyl]-6-(2-methylpropyl)pyrimidine-4-carboxamide
SMILESCC(C)Cc1cc(C(=O)NCCC(C)N2CCN(C)CC2)nc(N)n1
InChIInChI=1S/C18H32N6O/c1-13(2)11-15-12-16(22-18(19)21-15)17(25)20-6-5-14(3)24-9-7-23(4)8-10-24/h12-14H,5-11H2,1-4H3,(H,20,25)(H2,19,21,22)
InChIKeyFJCJHEYMKYRJNR-UHFFFAOYSA-N
MW348.50 g/mol
LogP1.01
Rot. Bonds7

About 2-amino-N-[3-(4-methylpiperazin-1-yl)butyl]-6-(2-methylpropyl)pyrimidine-4-carboxamide

2-amino-N-[3-(4-methylpiperazin-1-yl)butyl]-6-(2-methylpropyl)pyrimidine-4-carboxamide (PubChem CID 131950985) has the molecular formula C18H32N6O and a molecular weight of 348.50 g/mol. Its IUPAC name is 2-amino-N-[3-(4-methylpiperazin-1-yl)butyl]-6-(2-methylpropyl)pyrimidine-4-carboxamide.

Molecular Properties

Compound Name2-amino-N-[3-(4-methylpiperazin-1-yl)butyl]-6-(2-methylpropyl)pyrimidine-4-carboxamide
PubChem CID131950985
Molecular FormulaC18H32N6O
Molecular Weight348.50 g/mol
Exact Mass348.26
IUPAC Name2-amino-N-[3-(4-methylpiperazin-1-yl)butyl]-6-(2-methylpropyl)pyrimidine-4-carboxamide
SMILESCC(C)Cc1cc(C(=O)NCCC(C)N2CCN(C)CC2)nc(N)n1
InChIInChI=1S/C18H32N6O/c1-13(2)11-15-12-16(22-18(19)21-15)17(25)20-6-5-14(3)24-9-7-23(4)8-10-24/h12-14H,5-11H2,1-4H3,(H,20,25)(H2,19,21,22)
InChIKeyFJCJHEYMKYRJNR-UHFFFAOYSA-N
XLogP1.01
TPSA87.38 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.50
LogP ≤ 51.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[3-(4-methylpiperazin-1-yl)butyl]-6-(2-methylpropyl)pyrimidine-4-carboxamide?
The IUPAC name of 2-amino-N-[3-(4-methylpiperazin-1-yl)butyl]-6-(2-methylpropyl)pyrimidine-4-carboxamide (CID 131950985) is 2-amino-N-[3-(4-methylpiperazin-1-yl)butyl]-6-(2-methylpropyl)pyrimidine-4-carboxamide.
What is the SMILES notation for 2-amino-N-[3-(4-methylpiperazin-1-yl)butyl]-6-(2-methylpropyl)pyrimidine-4-carboxamide?
The canonical SMILES for 2-amino-N-[3-(4-methylpiperazin-1-yl)butyl]-6-(2-methylpropyl)pyrimidine-4-carboxamide is CC(C)Cc1cc(C(=O)NCCC(C)N2CCN(C)CC2)nc(N)n1.
What is the InChIKey of 2-amino-N-[3-(4-methylpiperazin-1-yl)butyl]-6-(2-methylpropyl)pyrimidine-4-carboxamide?
The InChIKey is FJCJHEYMKYRJNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H32N6O/c1-13(2)11-15-12-16(22-18(19)21-15)17(25)20-6-5-14(3)24-9-7-23(4)8-10-24/h12-14H,5-11H2,1-4H3,(H,20,25)(H2,19,21,22).
What are the key properties of 2-amino-N-[3-(4-methylpiperazin-1-yl)butyl]-6-(2-methylpropyl)pyrimidine-4-carboxamide?
2-amino-N-[3-(4-methylpiperazin-1-yl)butyl]-6-(2-methylpropyl)pyrimidine-4-carboxamide has a molecular weight of 348.50 g/mol, XLogP of 1.01, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-[3-(4-methylpiperazin-1-yl)butyl]-6-(2-methylpropyl)pyrimidine-4-carboxamide is sourced from PubChem (CID 131950985), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).