6-N-(3-methylbutyl)-4-N-(4-methylpiperazin-1-yl)pyrimidine-4,5,6-triamine

C14H27N7 — CID 19144101

IUPAC6-N-(3-methylbutyl)-4-N-(4-methylpiperazin-1-yl)pyrimidine-4,5,6-triamine
SMILESCC(C)CCNc1ncnc(NN2CCN(C)CC2)c1N
InChIInChI=1S/C14H27N7/c1-11(2)4-5-16-13-12(15)14(18-10-17-13)19-21-8-6-20(3)7-9-21/h10-11H,4-9,15H2,1-3H3,(H2,16,17,18,19)
InChIKeyIKCYXCLJXXXZSP-UHFFFAOYSA-N
MW293.42 g/mol
LogP1.09
Rot. Bonds6

About 6-N-(3-methylbutyl)-4-N-(4-methylpiperazin-1-yl)pyrimidine-4,5,6-triamine

6-N-(3-methylbutyl)-4-N-(4-methylpiperazin-1-yl)pyrimidine-4,5,6-triamine (PubChem CID 19144101) has the molecular formula C14H27N7 and a molecular weight of 293.42 g/mol. Its IUPAC name is 6-N-(3-methylbutyl)-4-N-(4-methylpiperazin-1-yl)pyrimidine-4,5,6-triamine.

Molecular Properties

Compound Name6-N-(3-methylbutyl)-4-N-(4-methylpiperazin-1-yl)pyrimidine-4,5,6-triamine
PubChem CID19144101
Molecular FormulaC14H27N7
Molecular Weight293.42 g/mol
Exact Mass293.23
IUPAC Name6-N-(3-methylbutyl)-4-N-(4-methylpiperazin-1-yl)pyrimidine-4,5,6-triamine
SMILESCC(C)CCNc1ncnc(NN2CCN(C)CC2)c1N
InChIInChI=1S/C14H27N7/c1-11(2)4-5-16-13-12(15)14(18-10-17-13)19-21-8-6-20(3)7-9-21/h10-11H,4-9,15H2,1-3H3,(H2,16,17,18,19)
InChIKeyIKCYXCLJXXXZSP-UHFFFAOYSA-N
XLogP1.09
TPSA82.34 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.42
LogP ≤ 51.09
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 6-N-(3-methylbutyl)-4-N-(4-methylpiperazin-1-yl)pyrimidine-4,5,6-triamine?
The IUPAC name of 6-N-(3-methylbutyl)-4-N-(4-methylpiperazin-1-yl)pyrimidine-4,5,6-triamine (CID 19144101) is 6-N-(3-methylbutyl)-4-N-(4-methylpiperazin-1-yl)pyrimidine-4,5,6-triamine.
What is the SMILES notation for 6-N-(3-methylbutyl)-4-N-(4-methylpiperazin-1-yl)pyrimidine-4,5,6-triamine?
The canonical SMILES for 6-N-(3-methylbutyl)-4-N-(4-methylpiperazin-1-yl)pyrimidine-4,5,6-triamine is CC(C)CCNc1ncnc(NN2CCN(C)CC2)c1N.
What is the InChIKey of 6-N-(3-methylbutyl)-4-N-(4-methylpiperazin-1-yl)pyrimidine-4,5,6-triamine?
The InChIKey is IKCYXCLJXXXZSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27N7/c1-11(2)4-5-16-13-12(15)14(18-10-17-13)19-21-8-6-20(3)7-9-21/h10-11H,4-9,15H2,1-3H3,(H2,16,17,18,19).
What are the key properties of 6-N-(3-methylbutyl)-4-N-(4-methylpiperazin-1-yl)pyrimidine-4,5,6-triamine?
6-N-(3-methylbutyl)-4-N-(4-methylpiperazin-1-yl)pyrimidine-4,5,6-triamine has a molecular weight of 293.42 g/mol, XLogP of 1.09, 6 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-N-(3-methylbutyl)-4-N-(4-methylpiperazin-1-yl)pyrimidine-4,5,6-triamine is sourced from PubChem (CID 19144101), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).