4-N,4-N-diethyl-6-(4-methylpiperazin-1-yl)pyrimidine-2,4-diamine

C13H24N6 — CID 25129180

IUPAC4-N,4-N-diethyl-6-(4-methylpiperazin-1-yl)pyrimidine-2,4-diamine
SMILESCCN(CC)c1cc(N2CCN(C)CC2)nc(N)n1
InChIInChI=1S/C13H24N6/c1-4-18(5-2)11-10-12(16-13(14)15-11)19-8-6-17(3)7-9-19/h10H,4-9H2,1-3H3,(H2,14,15,16)
InChIKeyBWEFMDLNLUWTEB-UHFFFAOYSA-N
MW264.38 g/mol
LogP0.66
Rot. Bonds4

About 4-N,4-N-diethyl-6-(4-methylpiperazin-1-yl)pyrimidine-2,4-diamine

4-N,4-N-diethyl-6-(4-methylpiperazin-1-yl)pyrimidine-2,4-diamine (PubChem CID 25129180) has the molecular formula C13H24N6 and a molecular weight of 264.38 g/mol. Its IUPAC name is 4-N,4-N-diethyl-6-(4-methylpiperazin-1-yl)pyrimidine-2,4-diamine.

Molecular Properties

Compound Name4-N,4-N-diethyl-6-(4-methylpiperazin-1-yl)pyrimidine-2,4-diamine
PubChem CID25129180
Molecular FormulaC13H24N6
Molecular Weight264.38 g/mol
Exact Mass264.21
IUPAC Name4-N,4-N-diethyl-6-(4-methylpiperazin-1-yl)pyrimidine-2,4-diamine
SMILESCCN(CC)c1cc(N2CCN(C)CC2)nc(N)n1
InChIInChI=1S/C13H24N6/c1-4-18(5-2)11-10-12(16-13(14)15-11)19-8-6-17(3)7-9-19/h10H,4-9H2,1-3H3,(H2,14,15,16)
InChIKeyBWEFMDLNLUWTEB-UHFFFAOYSA-N
XLogP0.66
TPSA61.52 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
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,4-N-diethyl-6-(4-methylpiperazin-1-yl)pyrimidine-2,4-diamine?
The IUPAC name of 4-N,4-N-diethyl-6-(4-methylpiperazin-1-yl)pyrimidine-2,4-diamine (CID 25129180) is 4-N,4-N-diethyl-6-(4-methylpiperazin-1-yl)pyrimidine-2,4-diamine.
What is the SMILES notation for 4-N,4-N-diethyl-6-(4-methylpiperazin-1-yl)pyrimidine-2,4-diamine?
The canonical SMILES for 4-N,4-N-diethyl-6-(4-methylpiperazin-1-yl)pyrimidine-2,4-diamine is CCN(CC)c1cc(N2CCN(C)CC2)nc(N)n1.
What is the InChIKey of 4-N,4-N-diethyl-6-(4-methylpiperazin-1-yl)pyrimidine-2,4-diamine?
The InChIKey is BWEFMDLNLUWTEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N6/c1-4-18(5-2)11-10-12(16-13(14)15-11)19-8-6-17(3)7-9-19/h10H,4-9H2,1-3H3,(H2,14,15,16).
What are the key properties of 4-N,4-N-diethyl-6-(4-methylpiperazin-1-yl)pyrimidine-2,4-diamine?
4-N,4-N-diethyl-6-(4-methylpiperazin-1-yl)pyrimidine-2,4-diamine has a molecular weight of 264.38 g/mol, XLogP of 0.66, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N,4-N-diethyl-6-(4-methylpiperazin-1-yl)pyrimidine-2,4-diamine is sourced from PubChem (CID 25129180), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).