2-N-methyl-4-N-(2-methylpentan-3-yl)pyrimidine-2,4-diamine

C11H20N4 — CID 80804129

IUPAC2-N-methyl-4-N-(2-methylpentan-3-yl)pyrimidine-2,4-diamine
SMILESCCC(Nc1ccnc(NC)n1)C(C)C
InChIInChI=1S/C11H20N4/c1-5-9(8(2)3)14-10-6-7-13-11(12-4)15-10/h6-9H,5H2,1-4H3,(H2,12,13,14,15)
InChIKeyFKDVHBGXFHGUMT-UHFFFAOYSA-N
MW208.31 g/mol
LogP2.36
Rot. Bonds5

About 2-N-methyl-4-N-(2-methylpentan-3-yl)pyrimidine-2,4-diamine

2-N-methyl-4-N-(2-methylpentan-3-yl)pyrimidine-2,4-diamine (PubChem CID 80804129) has the molecular formula C11H20N4 and a molecular weight of 208.31 g/mol. Its IUPAC name is 2-N-methyl-4-N-(2-methylpentan-3-yl)pyrimidine-2,4-diamine.

Molecular Properties

Compound Name2-N-methyl-4-N-(2-methylpentan-3-yl)pyrimidine-2,4-diamine
PubChem CID80804129
Molecular FormulaC11H20N4
Molecular Weight208.31 g/mol
Exact Mass208.17
IUPAC Name2-N-methyl-4-N-(2-methylpentan-3-yl)pyrimidine-2,4-diamine
SMILESCCC(Nc1ccnc(NC)n1)C(C)C
InChIInChI=1S/C11H20N4/c1-5-9(8(2)3)14-10-6-7-13-11(12-4)15-10/h6-9H,5H2,1-4H3,(H2,12,13,14,15)
InChIKeyFKDVHBGXFHGUMT-UHFFFAOYSA-N
XLogP2.36
TPSA49.84 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.31
LogP ≤ 52.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-methyl-2-[[2-(methylamino)pyrimidin-4-yl]amino]butan-1-ol
CID 80847955
2-hydrazinyl-N-(2-methylpentan-3-yl)pyrimidin-4-amine
CID 80897391
4-N-(1-methoxybutan-2-yl)-2-N-methylpyrimidine-2,4-diamine
CID 80837219
2-N,4-N-di(butan-2-yl)pyrimidine-2,4-diamine
CID 112883470
2-N-ethyl-4-N-propan-2-ylpyrimidine-2,4-diamine
CID 80765362
3-methoxy-2-[[2-(methylamino)pyrimidin-4-yl]amino]propan-1-ol
CID 106198786
4-N-butan-2-yl-2-N-(3-methylbutyl)pyrimidine-2,4-diamine
CID 112883545
5,6-dimethyl-N-(2-methylpentan-3-yl)pyrazin-2-amine
CID 114475547
4-N-butan-2-yl-2-N-(furan-2-ylmethyl)pyrimidine-2,4-diamine
CID 112883488
4-N-[1-(3-fluoro-4-methylphenyl)ethyl]-2-N-methylpyrimidine-2,4-diamine
CID 80852541
2-N-(2-methylpentan-3-yl)-6-propoxypyridine-2,5-diamine
CID 54954505
2-N-methyl-4-N-(4-propylphenyl)pyrimidine-2,4-diamine
CID 80780741

Frequently Asked Questions

What is the IUPAC name of 2-N-methyl-4-N-(2-methylpentan-3-yl)pyrimidine-2,4-diamine?
The IUPAC name of 2-N-methyl-4-N-(2-methylpentan-3-yl)pyrimidine-2,4-diamine (CID 80804129) is 2-N-methyl-4-N-(2-methylpentan-3-yl)pyrimidine-2,4-diamine.
What is the SMILES notation for 2-N-methyl-4-N-(2-methylpentan-3-yl)pyrimidine-2,4-diamine?
The canonical SMILES for 2-N-methyl-4-N-(2-methylpentan-3-yl)pyrimidine-2,4-diamine is CCC(Nc1ccnc(NC)n1)C(C)C.
What is the InChIKey of 2-N-methyl-4-N-(2-methylpentan-3-yl)pyrimidine-2,4-diamine?
The InChIKey is FKDVHBGXFHGUMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N4/c1-5-9(8(2)3)14-10-6-7-13-11(12-4)15-10/h6-9H,5H2,1-4H3,(H2,12,13,14,15).
What are the key properties of 2-N-methyl-4-N-(2-methylpentan-3-yl)pyrimidine-2,4-diamine?
2-N-methyl-4-N-(2-methylpentan-3-yl)pyrimidine-2,4-diamine has a molecular weight of 208.31 g/mol, XLogP of 2.36, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-methyl-4-N-(2-methylpentan-3-yl)pyrimidine-2,4-diamine is sourced from PubChem (CID 80804129), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).