4-N-(2-methoxyethyl)-4-N-methyl-6-(4-methylpiperazin-1-yl)pyrimidine-4,5-diamine

C13H24N6O — CID 91635593

IUPAC4-N-(2-methoxyethyl)-4-N-methyl-6-(4-methylpiperazin-1-yl)pyrimidine-4,5-diamine
SMILESCOCCN(C)c1ncnc(N2CCN(C)CC2)c1N
InChIInChI=1S/C13H24N6O/c1-17-4-6-19(7-5-17)13-11(14)12(15-10-16-13)18(2)8-9-20-3/h10H,4-9,14H2,1-3H3
InChIKeyFCLBCWRENMLSNF-UHFFFAOYSA-N
MW280.38 g/mol
LogP-0.11
Rot. Bonds5

About 4-N-(2-methoxyethyl)-4-N-methyl-6-(4-methylpiperazin-1-yl)pyrimidine-4,5-diamine

4-N-(2-methoxyethyl)-4-N-methyl-6-(4-methylpiperazin-1-yl)pyrimidine-4,5-diamine (PubChem CID 91635593) has the molecular formula C13H24N6O and a molecular weight of 280.38 g/mol. Its IUPAC name is 4-N-(2-methoxyethyl)-4-N-methyl-6-(4-methylpiperazin-1-yl)pyrimidine-4,5-diamine.

Molecular Properties

Compound Name4-N-(2-methoxyethyl)-4-N-methyl-6-(4-methylpiperazin-1-yl)pyrimidine-4,5-diamine
PubChem CID91635593
Molecular FormulaC13H24N6O
Molecular Weight280.38 g/mol
Exact Mass280.20
IUPAC Name4-N-(2-methoxyethyl)-4-N-methyl-6-(4-methylpiperazin-1-yl)pyrimidine-4,5-diamine
SMILESCOCCN(C)c1ncnc(N2CCN(C)CC2)c1N
InChIInChI=1S/C13H24N6O/c1-17-4-6-19(7-5-17)13-11(14)12(15-10-16-13)18(2)8-9-20-3/h10H,4-9,14H2,1-3H3
InChIKeyFCLBCWRENMLSNF-UHFFFAOYSA-N
XLogP-0.11
TPSA70.75 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.38
LogP ≤ 5-0.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 4-N-(2-methoxyethyl)-4-N-methyl-6-(4-methylpiperazin-1-yl)pyrimidine-4,5-diamine?
The IUPAC name of 4-N-(2-methoxyethyl)-4-N-methyl-6-(4-methylpiperazin-1-yl)pyrimidine-4,5-diamine (CID 91635593) is 4-N-(2-methoxyethyl)-4-N-methyl-6-(4-methylpiperazin-1-yl)pyrimidine-4,5-diamine.
What is the SMILES notation for 4-N-(2-methoxyethyl)-4-N-methyl-6-(4-methylpiperazin-1-yl)pyrimidine-4,5-diamine?
The canonical SMILES for 4-N-(2-methoxyethyl)-4-N-methyl-6-(4-methylpiperazin-1-yl)pyrimidine-4,5-diamine is COCCN(C)c1ncnc(N2CCN(C)CC2)c1N.
What is the InChIKey of 4-N-(2-methoxyethyl)-4-N-methyl-6-(4-methylpiperazin-1-yl)pyrimidine-4,5-diamine?
The InChIKey is FCLBCWRENMLSNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N6O/c1-17-4-6-19(7-5-17)13-11(14)12(15-10-16-13)18(2)8-9-20-3/h10H,4-9,14H2,1-3H3.
What are the key properties of 4-N-(2-methoxyethyl)-4-N-methyl-6-(4-methylpiperazin-1-yl)pyrimidine-4,5-diamine?
4-N-(2-methoxyethyl)-4-N-methyl-6-(4-methylpiperazin-1-yl)pyrimidine-4,5-diamine has a molecular weight of 280.38 g/mol, XLogP of -0.11, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-(2-methoxyethyl)-4-N-methyl-6-(4-methylpiperazin-1-yl)pyrimidine-4,5-diamine is sourced from PubChem (CID 91635593), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).