4-N-cyclopropyl-4-N-(cyclopropylmethyl)-6-N-ethyl-5-methylpyrimidine-4,6-diamine

C14H22N4 — CID 80844060

IUPAC4-N-cyclopropyl-4-N-(cyclopropylmethyl)-6-N-ethyl-5-methylpyrimidine-4,6-diamine
SMILESCCNc1ncnc(N(CC2CC2)C2CC2)c1C
InChIInChI=1S/C14H22N4/c1-3-15-13-10(2)14(17-9-16-13)18(12-6-7-12)8-11-4-5-11/h9,11-12H,3-8H2,1-2H3,(H,15,16,17)
InChIKeyYJAFIYVAOBBDAD-UHFFFAOYSA-N
MW246.36 g/mol
LogP2.60
Rot. Bonds6

About 4-N-cyclopropyl-4-N-(cyclopropylmethyl)-6-N-ethyl-5-methylpyrimidine-4,6-diamine

4-N-cyclopropyl-4-N-(cyclopropylmethyl)-6-N-ethyl-5-methylpyrimidine-4,6-diamine (PubChem CID 80844060) has the molecular formula C14H22N4 and a molecular weight of 246.36 g/mol. Its IUPAC name is 4-N-cyclopropyl-4-N-(cyclopropylmethyl)-6-N-ethyl-5-methylpyrimidine-4,6-diamine.

Molecular Properties

Compound Name4-N-cyclopropyl-4-N-(cyclopropylmethyl)-6-N-ethyl-5-methylpyrimidine-4,6-diamine
PubChem CID80844060
Molecular FormulaC14H22N4
Molecular Weight246.36 g/mol
Exact Mass246.18
IUPAC Name4-N-cyclopropyl-4-N-(cyclopropylmethyl)-6-N-ethyl-5-methylpyrimidine-4,6-diamine
SMILESCCNc1ncnc(N(CC2CC2)C2CC2)c1C
InChIInChI=1S/C14H22N4/c1-3-15-13-10(2)14(17-9-16-13)18(12-6-7-12)8-11-4-5-11/h9,11-12H,3-8H2,1-2H3,(H,15,16,17)
InChIKeyYJAFIYVAOBBDAD-UHFFFAOYSA-N
XLogP2.60
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.36
LogP ≤ 52.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 4-N-cyclopropyl-4-N-(cyclopropylmethyl)-6-N-ethyl-5-methylpyrimidine-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-cyclopropyl-4-N-(cyclopropylmethyl)-6-N-ethyl-5-methylpyrimidine-4,6-diamine?
The IUPAC name of 4-N-cyclopropyl-4-N-(cyclopropylmethyl)-6-N-ethyl-5-methylpyrimidine-4,6-diamine (CID 80844060) is 4-N-cyclopropyl-4-N-(cyclopropylmethyl)-6-N-ethyl-5-methylpyrimidine-4,6-diamine.
What is the SMILES notation for 4-N-cyclopropyl-4-N-(cyclopropylmethyl)-6-N-ethyl-5-methylpyrimidine-4,6-diamine?
The canonical SMILES for 4-N-cyclopropyl-4-N-(cyclopropylmethyl)-6-N-ethyl-5-methylpyrimidine-4,6-diamine is CCNc1ncnc(N(CC2CC2)C2CC2)c1C.
What is the InChIKey of 4-N-cyclopropyl-4-N-(cyclopropylmethyl)-6-N-ethyl-5-methylpyrimidine-4,6-diamine?
The InChIKey is YJAFIYVAOBBDAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N4/c1-3-15-13-10(2)14(17-9-16-13)18(12-6-7-12)8-11-4-5-11/h9,11-12H,3-8H2,1-2H3,(H,15,16,17).
What are the key properties of 4-N-cyclopropyl-4-N-(cyclopropylmethyl)-6-N-ethyl-5-methylpyrimidine-4,6-diamine?
4-N-cyclopropyl-4-N-(cyclopropylmethyl)-6-N-ethyl-5-methylpyrimidine-4,6-diamine has a molecular weight of 246.36 g/mol, XLogP of 2.60, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-cyclopropyl-4-N-(cyclopropylmethyl)-6-N-ethyl-5-methylpyrimidine-4,6-diamine is sourced from PubChem (CID 80844060), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).