4-N-methyl-4-N-(3-methylbutyl)-5-propan-2-ylpyrimidine-4,6-diamine

C13H24N4 — CID 80796579

IUPAC4-N-methyl-4-N-(3-methylbutyl)-5-propan-2-ylpyrimidine-4,6-diamine
SMILESCC(C)CCN(C)c1ncnc(N)c1C(C)C
InChIInChI=1S/C13H24N4/c1-9(2)6-7-17(5)13-11(10(3)4)12(14)15-8-16-13/h8-10H,6-7H2,1-5H3,(H2,14,15,16)
InChIKeyIJCOEQADXKXAGE-UHFFFAOYSA-N
MW236.36 g/mol
LogP2.66
Rot. Bonds5

About 4-N-methyl-4-N-(3-methylbutyl)-5-propan-2-ylpyrimidine-4,6-diamine

4-N-methyl-4-N-(3-methylbutyl)-5-propan-2-ylpyrimidine-4,6-diamine (PubChem CID 80796579) has the molecular formula C13H24N4 and a molecular weight of 236.36 g/mol. Its IUPAC name is 4-N-methyl-4-N-(3-methylbutyl)-5-propan-2-ylpyrimidine-4,6-diamine.

Molecular Properties

Compound Name4-N-methyl-4-N-(3-methylbutyl)-5-propan-2-ylpyrimidine-4,6-diamine
PubChem CID80796579
Molecular FormulaC13H24N4
Molecular Weight236.36 g/mol
Exact Mass236.20
IUPAC Name4-N-methyl-4-N-(3-methylbutyl)-5-propan-2-ylpyrimidine-4,6-diamine
SMILESCC(C)CCN(C)c1ncnc(N)c1C(C)C
InChIInChI=1S/C13H24N4/c1-9(2)6-7-17(5)13-11(10(3)4)12(14)15-8-16-13/h8-10H,6-7H2,1-5H3,(H2,14,15,16)
InChIKeyIJCOEQADXKXAGE-UHFFFAOYSA-N
XLogP2.66
TPSA55.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.36
LogP ≤ 52.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 4-N-methyl-4-N-(3-methylbutyl)-5-propan-2-ylpyrimidine-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-methyl-4-N-(3-methylbutyl)-5-propan-2-ylpyrimidine-4,6-diamine?
The IUPAC name of 4-N-methyl-4-N-(3-methylbutyl)-5-propan-2-ylpyrimidine-4,6-diamine (CID 80796579) is 4-N-methyl-4-N-(3-methylbutyl)-5-propan-2-ylpyrimidine-4,6-diamine.
What is the SMILES notation for 4-N-methyl-4-N-(3-methylbutyl)-5-propan-2-ylpyrimidine-4,6-diamine?
The canonical SMILES for 4-N-methyl-4-N-(3-methylbutyl)-5-propan-2-ylpyrimidine-4,6-diamine is CC(C)CCN(C)c1ncnc(N)c1C(C)C.
What is the InChIKey of 4-N-methyl-4-N-(3-methylbutyl)-5-propan-2-ylpyrimidine-4,6-diamine?
The InChIKey is IJCOEQADXKXAGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N4/c1-9(2)6-7-17(5)13-11(10(3)4)12(14)15-8-16-13/h8-10H,6-7H2,1-5H3,(H2,14,15,16).
What are the key properties of 4-N-methyl-4-N-(3-methylbutyl)-5-propan-2-ylpyrimidine-4,6-diamine?
4-N-methyl-4-N-(3-methylbutyl)-5-propan-2-ylpyrimidine-4,6-diamine has a molecular weight of 236.36 g/mol, XLogP of 2.66, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-methyl-4-N-(3-methylbutyl)-5-propan-2-ylpyrimidine-4,6-diamine is sourced from PubChem (CID 80796579), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).