[5-(4-methylpiperazin-1-yl)-2-propan-2-ylpyrimidin-4-yl]methanamine

C13H23N5 — CID 62298929

IUPAC[5-(4-methylpiperazin-1-yl)-2-propan-2-ylpyrimidin-4-yl]methanamine
SMILESCC(C)c1ncc(N2CCN(C)CC2)c(CN)n1
InChIInChI=1S/C13H23N5/c1-10(2)13-15-9-12(11(8-14)16-13)18-6-4-17(3)5-7-18/h9-10H,4-8,14H2,1-3H3
InChIKeyCPWXPRPPAREORL-UHFFFAOYSA-N
MW249.36 g/mol
LogP0.81
Rot. Bonds3

About [5-(4-methylpiperazin-1-yl)-2-propan-2-ylpyrimidin-4-yl]methanamine

[5-(4-methylpiperazin-1-yl)-2-propan-2-ylpyrimidin-4-yl]methanamine (PubChem CID 62298929) has the molecular formula C13H23N5 and a molecular weight of 249.36 g/mol. Its IUPAC name is [5-(4-methylpiperazin-1-yl)-2-propan-2-ylpyrimidin-4-yl]methanamine.

Molecular Properties

Compound Name[5-(4-methylpiperazin-1-yl)-2-propan-2-ylpyrimidin-4-yl]methanamine
PubChem CID62298929
Molecular FormulaC13H23N5
Molecular Weight249.36 g/mol
Exact Mass249.20
IUPAC Name[5-(4-methylpiperazin-1-yl)-2-propan-2-ylpyrimidin-4-yl]methanamine
SMILESCC(C)c1ncc(N2CCN(C)CC2)c(CN)n1
InChIInChI=1S/C13H23N5/c1-10(2)13-15-9-12(11(8-14)16-13)18-6-4-17(3)5-7-18/h9-10H,4-8,14H2,1-3H3
InChIKeyCPWXPRPPAREORL-UHFFFAOYSA-N
XLogP0.81
TPSA58.28 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.36
LogP ≤ 50.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [5-(4-methylpiperazin-1-yl)-2-propan-2-ylpyrimidin-4-yl]methanamine?
The IUPAC name of [5-(4-methylpiperazin-1-yl)-2-propan-2-ylpyrimidin-4-yl]methanamine (CID 62298929) is [5-(4-methylpiperazin-1-yl)-2-propan-2-ylpyrimidin-4-yl]methanamine.
What is the SMILES notation for [5-(4-methylpiperazin-1-yl)-2-propan-2-ylpyrimidin-4-yl]methanamine?
The canonical SMILES for [5-(4-methylpiperazin-1-yl)-2-propan-2-ylpyrimidin-4-yl]methanamine is CC(C)c1ncc(N2CCN(C)CC2)c(CN)n1.
What is the InChIKey of [5-(4-methylpiperazin-1-yl)-2-propan-2-ylpyrimidin-4-yl]methanamine?
The InChIKey is CPWXPRPPAREORL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N5/c1-10(2)13-15-9-12(11(8-14)16-13)18-6-4-17(3)5-7-18/h9-10H,4-8,14H2,1-3H3.
What are the key properties of [5-(4-methylpiperazin-1-yl)-2-propan-2-ylpyrimidin-4-yl]methanamine?
[5-(4-methylpiperazin-1-yl)-2-propan-2-ylpyrimidin-4-yl]methanamine has a molecular weight of 249.36 g/mol, XLogP of 0.81, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(4-methylpiperazin-1-yl)-2-propan-2-ylpyrimidin-4-yl]methanamine is sourced from PubChem (CID 62298929), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).