4-N-methyl-6-(4-methylpiperazin-1-yl)-4-N-propan-2-ylpyrimidine-2,4-diamine

C13H24N6 — CID 54582867

IUPAC4-N-methyl-6-(4-methylpiperazin-1-yl)-4-N-propan-2-ylpyrimidine-2,4-diamine
SMILESCC(C)N(C)c1cc(N2CCN(C)CC2)nc(N)n1
InChIInChI=1S/C13H24N6/c1-10(2)18(4)11-9-12(16-13(14)15-11)19-7-5-17(3)6-8-19/h9-10H,5-8H2,1-4H3,(H2,14,15,16)
InChIKeyJPNMLUHEKASEQE-UHFFFAOYSA-N
MW264.38 g/mol
LogP0.66
Rot. Bonds3

About 4-N-methyl-6-(4-methylpiperazin-1-yl)-4-N-propan-2-ylpyrimidine-2,4-diamine

4-N-methyl-6-(4-methylpiperazin-1-yl)-4-N-propan-2-ylpyrimidine-2,4-diamine (PubChem CID 54582867) has the molecular formula C13H24N6 and a molecular weight of 264.38 g/mol. Its IUPAC name is 4-N-methyl-6-(4-methylpiperazin-1-yl)-4-N-propan-2-ylpyrimidine-2,4-diamine.

Molecular Properties

Compound Name4-N-methyl-6-(4-methylpiperazin-1-yl)-4-N-propan-2-ylpyrimidine-2,4-diamine
PubChem CID54582867
Molecular FormulaC13H24N6
Molecular Weight264.38 g/mol
Exact Mass264.21
IUPAC Name4-N-methyl-6-(4-methylpiperazin-1-yl)-4-N-propan-2-ylpyrimidine-2,4-diamine
SMILESCC(C)N(C)c1cc(N2CCN(C)CC2)nc(N)n1
InChIInChI=1S/C13H24N6/c1-10(2)18(4)11-9-12(16-13(14)15-11)19-7-5-17(3)6-8-19/h9-10H,5-8H2,1-4H3,(H2,14,15,16)
InChIKeyJPNMLUHEKASEQE-UHFFFAOYSA-N
XLogP0.66
TPSA61.52 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.38
LogP ≤ 50.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-N-methyl-6-(4-methylpiperazin-1-yl)-4-N-propan-2-ylpyrimidine-2,4-diamine?
The IUPAC name of 4-N-methyl-6-(4-methylpiperazin-1-yl)-4-N-propan-2-ylpyrimidine-2,4-diamine (CID 54582867) is 4-N-methyl-6-(4-methylpiperazin-1-yl)-4-N-propan-2-ylpyrimidine-2,4-diamine.
What is the SMILES notation for 4-N-methyl-6-(4-methylpiperazin-1-yl)-4-N-propan-2-ylpyrimidine-2,4-diamine?
The canonical SMILES for 4-N-methyl-6-(4-methylpiperazin-1-yl)-4-N-propan-2-ylpyrimidine-2,4-diamine is CC(C)N(C)c1cc(N2CCN(C)CC2)nc(N)n1.
What is the InChIKey of 4-N-methyl-6-(4-methylpiperazin-1-yl)-4-N-propan-2-ylpyrimidine-2,4-diamine?
The InChIKey is JPNMLUHEKASEQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N6/c1-10(2)18(4)11-9-12(16-13(14)15-11)19-7-5-17(3)6-8-19/h9-10H,5-8H2,1-4H3,(H2,14,15,16).
What are the key properties of 4-N-methyl-6-(4-methylpiperazin-1-yl)-4-N-propan-2-ylpyrimidine-2,4-diamine?
4-N-methyl-6-(4-methylpiperazin-1-yl)-4-N-propan-2-ylpyrimidine-2,4-diamine has a molecular weight of 264.38 g/mol, XLogP of 0.66, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-methyl-6-(4-methylpiperazin-1-yl)-4-N-propan-2-ylpyrimidine-2,4-diamine is sourced from PubChem (CID 54582867), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).