4-(4-methylpiperazin-1-yl)-N-(2-methylpropyl)pyrimidin-2-amine

C13H23N5 — CID 58227388

IUPAC4-(4-methylpiperazin-1-yl)-N-(2-methylpropyl)pyrimidin-2-amine
SMILESCC(C)CNc1nccc(N2CCN(C)CC2)n1
InChIInChI=1S/C13H23N5/c1-11(2)10-15-13-14-5-4-12(16-13)18-8-6-17(3)7-9-18/h4-5,11H,6-10H2,1-3H3,(H,14,15,16)
InChIKeyRMJYXDNBHRKGCM-UHFFFAOYSA-N
MW249.36 g/mol
LogP1.30
Rot. Bonds4

About 4-(4-methylpiperazin-1-yl)-N-(2-methylpropyl)pyrimidin-2-amine

4-(4-methylpiperazin-1-yl)-N-(2-methylpropyl)pyrimidin-2-amine (PubChem CID 58227388) has the molecular formula C13H23N5 and a molecular weight of 249.36 g/mol. Its IUPAC name is 4-(4-methylpiperazin-1-yl)-N-(2-methylpropyl)pyrimidin-2-amine.

Molecular Properties

Compound Name4-(4-methylpiperazin-1-yl)-N-(2-methylpropyl)pyrimidin-2-amine
PubChem CID58227388
Molecular FormulaC13H23N5
Molecular Weight249.36 g/mol
Exact Mass249.20
IUPAC Name4-(4-methylpiperazin-1-yl)-N-(2-methylpropyl)pyrimidin-2-amine
SMILESCC(C)CNc1nccc(N2CCN(C)CC2)n1
InChIInChI=1S/C13H23N5/c1-11(2)10-15-13-14-5-4-12(16-13)18-8-6-17(3)7-9-18/h4-5,11H,6-10H2,1-3H3,(H,14,15,16)
InChIKeyRMJYXDNBHRKGCM-UHFFFAOYSA-N
XLogP1.30
TPSA44.29 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.36
LogP ≤ 51.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-(4-methylpiperazin-1-yl)-N-(2-methylpropyl)pyrimidin-2-amine?
The IUPAC name of 4-(4-methylpiperazin-1-yl)-N-(2-methylpropyl)pyrimidin-2-amine (CID 58227388) is 4-(4-methylpiperazin-1-yl)-N-(2-methylpropyl)pyrimidin-2-amine.
What is the SMILES notation for 4-(4-methylpiperazin-1-yl)-N-(2-methylpropyl)pyrimidin-2-amine?
The canonical SMILES for 4-(4-methylpiperazin-1-yl)-N-(2-methylpropyl)pyrimidin-2-amine is CC(C)CNc1nccc(N2CCN(C)CC2)n1.
What is the InChIKey of 4-(4-methylpiperazin-1-yl)-N-(2-methylpropyl)pyrimidin-2-amine?
The InChIKey is RMJYXDNBHRKGCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N5/c1-11(2)10-15-13-14-5-4-12(16-13)18-8-6-17(3)7-9-18/h4-5,11H,6-10H2,1-3H3,(H,14,15,16).
What are the key properties of 4-(4-methylpiperazin-1-yl)-N-(2-methylpropyl)pyrimidin-2-amine?
4-(4-methylpiperazin-1-yl)-N-(2-methylpropyl)pyrimidin-2-amine has a molecular weight of 249.36 g/mol, XLogP of 1.30, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-methylpiperazin-1-yl)-N-(2-methylpropyl)pyrimidin-2-amine is sourced from PubChem (CID 58227388), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).