2-N,4-N-bis(3-methylbutyl)-6-propan-2-ylpyrimidine-2,4-diamine

C17H32N4 — CID 71244270

IUPAC2-N,4-N-bis(3-methylbutyl)-6-propan-2-ylpyrimidine-2,4-diamine
SMILESCC(C)CCNc1cc(C(C)C)nc(NCCC(C)C)n1
InChIInChI=1S/C17H32N4/c1-12(2)7-9-18-16-11-15(14(5)6)20-17(21-16)19-10-8-13(3)4/h11-14H,7-10H2,1-6H3,(H2,18,19,20,21)
InChIKeyNONDTTOEXBIGFL-UHFFFAOYSA-N
MW292.47 g/mol
LogP4.52
Rot. Bonds9

About 2-N,4-N-bis(3-methylbutyl)-6-propan-2-ylpyrimidine-2,4-diamine

2-N,4-N-bis(3-methylbutyl)-6-propan-2-ylpyrimidine-2,4-diamine (PubChem CID 71244270) has the molecular formula C17H32N4 and a molecular weight of 292.47 g/mol. Its IUPAC name is 2-N,4-N-bis(3-methylbutyl)-6-propan-2-ylpyrimidine-2,4-diamine.

Molecular Properties

Compound Name2-N,4-N-bis(3-methylbutyl)-6-propan-2-ylpyrimidine-2,4-diamine
PubChem CID71244270
Molecular FormulaC17H32N4
Molecular Weight292.47 g/mol
Exact Mass292.26
IUPAC Name2-N,4-N-bis(3-methylbutyl)-6-propan-2-ylpyrimidine-2,4-diamine
SMILESCC(C)CCNc1cc(C(C)C)nc(NCCC(C)C)n1
InChIInChI=1S/C17H32N4/c1-12(2)7-9-18-16-11-15(14(5)6)20-17(21-16)19-10-8-13(3)4/h11-14H,7-10H2,1-6H3,(H2,18,19,20,21)
InChIKeyNONDTTOEXBIGFL-UHFFFAOYSA-N
XLogP4.52
TPSA49.84 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.47
LogP ≤ 54.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 2-N,4-N-bis(3-methylbutyl)-6-propan-2-ylpyrimidine-2,4-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 2-N,4-N-bis(3-methylbutyl)-6-propan-2-ylpyrimidine-2,4-diamine?
The IUPAC name of 2-N,4-N-bis(3-methylbutyl)-6-propan-2-ylpyrimidine-2,4-diamine (CID 71244270) is 2-N,4-N-bis(3-methylbutyl)-6-propan-2-ylpyrimidine-2,4-diamine.
What is the SMILES notation for 2-N,4-N-bis(3-methylbutyl)-6-propan-2-ylpyrimidine-2,4-diamine?
The canonical SMILES for 2-N,4-N-bis(3-methylbutyl)-6-propan-2-ylpyrimidine-2,4-diamine is CC(C)CCNc1cc(C(C)C)nc(NCCC(C)C)n1.
What is the InChIKey of 2-N,4-N-bis(3-methylbutyl)-6-propan-2-ylpyrimidine-2,4-diamine?
The InChIKey is NONDTTOEXBIGFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H32N4/c1-12(2)7-9-18-16-11-15(14(5)6)20-17(21-16)19-10-8-13(3)4/h11-14H,7-10H2,1-6H3,(H2,18,19,20,21).
What are the key properties of 2-N,4-N-bis(3-methylbutyl)-6-propan-2-ylpyrimidine-2,4-diamine?
2-N,4-N-bis(3-methylbutyl)-6-propan-2-ylpyrimidine-2,4-diamine has a molecular weight of 292.47 g/mol, XLogP of 4.52, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N,4-N-bis(3-methylbutyl)-6-propan-2-ylpyrimidine-2,4-diamine is sourced from PubChem (CID 71244270), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).