4-N,6-N-bis(2-methylpropyl)pyrimidine-4,6-diamine

C12H22N4 — CID 44569027

IUPAC4-N,6-N-bis(2-methylpropyl)pyrimidine-4,6-diamine
SMILESCC(C)CNc1cc(NCC(C)C)ncn1
InChIInChI=1S/C12H22N4/c1-9(2)6-13-11-5-12(16-8-15-11)14-7-10(3)4/h5,8-10H,6-7H2,1-4H3,(H2,13,14,15,16)
InChIKeyWYSQRHQJLKNTHZ-UHFFFAOYSA-N
MW222.34 g/mol
LogP2.61
Rot. Bonds6

About 4-N,6-N-bis(2-methylpropyl)pyrimidine-4,6-diamine

4-N,6-N-bis(2-methylpropyl)pyrimidine-4,6-diamine (PubChem CID 44569027) has the molecular formula C12H22N4 and a molecular weight of 222.34 g/mol. Its IUPAC name is 4-N,6-N-bis(2-methylpropyl)pyrimidine-4,6-diamine.

Molecular Properties

Compound Name4-N,6-N-bis(2-methylpropyl)pyrimidine-4,6-diamine
PubChem CID44569027
Molecular FormulaC12H22N4
Molecular Weight222.34 g/mol
Exact Mass222.18
IUPAC Name4-N,6-N-bis(2-methylpropyl)pyrimidine-4,6-diamine
SMILESCC(C)CNc1cc(NCC(C)C)ncn1
InChIInChI=1S/C12H22N4/c1-9(2)6-13-11-5-12(16-8-15-11)14-7-10(3)4/h5,8-10H,6-7H2,1-4H3,(H2,13,14,15,16)
InChIKeyWYSQRHQJLKNTHZ-UHFFFAOYSA-N
XLogP2.61
TPSA49.84 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.34
LogP ≤ 52.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 4-N,6-N-bis(2-methylpropyl)pyrimidine-4,6-diamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-N,6-N-bis(2-methylpropyl)pyrimidine-4,6-diamine?
The IUPAC name of 4-N,6-N-bis(2-methylpropyl)pyrimidine-4,6-diamine (CID 44569027) is 4-N,6-N-bis(2-methylpropyl)pyrimidine-4,6-diamine.
What is the SMILES notation for 4-N,6-N-bis(2-methylpropyl)pyrimidine-4,6-diamine?
The canonical SMILES for 4-N,6-N-bis(2-methylpropyl)pyrimidine-4,6-diamine is CC(C)CNc1cc(NCC(C)C)ncn1.
What is the InChIKey of 4-N,6-N-bis(2-methylpropyl)pyrimidine-4,6-diamine?
The InChIKey is WYSQRHQJLKNTHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N4/c1-9(2)6-13-11-5-12(16-8-15-11)14-7-10(3)4/h5,8-10H,6-7H2,1-4H3,(H2,13,14,15,16).
What are the key properties of 4-N,6-N-bis(2-methylpropyl)pyrimidine-4,6-diamine?
4-N,6-N-bis(2-methylpropyl)pyrimidine-4,6-diamine has a molecular weight of 222.34 g/mol, XLogP of 2.61, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N,6-N-bis(2-methylpropyl)pyrimidine-4,6-diamine is sourced from PubChem (CID 44569027), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).