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

C13H24N6 — CID 83027220

IUPAC2-methyl-4-N-(4-methylpiperazin-1-yl)-6-N-propylpyrimidine-4,6-diamine
SMILESCCCNc1cc(NN2CCN(C)CC2)nc(C)n1
InChIInChI=1S/C13H24N6/c1-4-5-14-12-10-13(16-11(2)15-12)17-19-8-6-18(3)7-9-19/h10H,4-9H2,1-3H3,(H2,14,15,16,17)
InChIKeyZIGDVGLPTUPKFW-UHFFFAOYSA-N
MW264.38 g/mol
LogP1.18
Rot. Bonds5

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

2-methyl-4-N-(4-methylpiperazin-1-yl)-6-N-propylpyrimidine-4,6-diamine (PubChem CID 83027220) has the molecular formula C13H24N6 and a molecular weight of 264.38 g/mol. Its IUPAC name is 2-methyl-4-N-(4-methylpiperazin-1-yl)-6-N-propylpyrimidine-4,6-diamine.

Molecular Properties

Compound Name2-methyl-4-N-(4-methylpiperazin-1-yl)-6-N-propylpyrimidine-4,6-diamine
PubChem CID83027220
Molecular FormulaC13H24N6
Molecular Weight264.38 g/mol
Exact Mass264.21
IUPAC Name2-methyl-4-N-(4-methylpiperazin-1-yl)-6-N-propylpyrimidine-4,6-diamine
SMILESCCCNc1cc(NN2CCN(C)CC2)nc(C)n1
InChIInChI=1S/C13H24N6/c1-4-5-14-12-10-13(16-11(2)15-12)17-19-8-6-18(3)7-9-19/h10H,4-9H2,1-3H3,(H2,14,15,16,17)
InChIKeyZIGDVGLPTUPKFW-UHFFFAOYSA-N
XLogP1.18
TPSA56.32 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.38
LogP ≤ 51.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-4-N-(4-methylpiperazin-1-yl)-6-N-propylpyrimidine-4,6-diamine?
The IUPAC name of 2-methyl-4-N-(4-methylpiperazin-1-yl)-6-N-propylpyrimidine-4,6-diamine (CID 83027220) is 2-methyl-4-N-(4-methylpiperazin-1-yl)-6-N-propylpyrimidine-4,6-diamine.
What is the SMILES notation for 2-methyl-4-N-(4-methylpiperazin-1-yl)-6-N-propylpyrimidine-4,6-diamine?
The canonical SMILES for 2-methyl-4-N-(4-methylpiperazin-1-yl)-6-N-propylpyrimidine-4,6-diamine is CCCNc1cc(NN2CCN(C)CC2)nc(C)n1.
What is the InChIKey of 2-methyl-4-N-(4-methylpiperazin-1-yl)-6-N-propylpyrimidine-4,6-diamine?
The InChIKey is ZIGDVGLPTUPKFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N6/c1-4-5-14-12-10-13(16-11(2)15-12)17-19-8-6-18(3)7-9-19/h10H,4-9H2,1-3H3,(H2,14,15,16,17).
What are the key properties of 2-methyl-4-N-(4-methylpiperazin-1-yl)-6-N-propylpyrimidine-4,6-diamine?
2-methyl-4-N-(4-methylpiperazin-1-yl)-6-N-propylpyrimidine-4,6-diamine has a molecular weight of 264.38 g/mol, XLogP of 1.18, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-4-N-(4-methylpiperazin-1-yl)-6-N-propylpyrimidine-4,6-diamine is sourced from PubChem (CID 83027220), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).