4-N-benzylpyrimidine-4,6-diamine

C11H12N4 — CID 3031503

IUPAC4-N-benzylpyrimidine-4,6-diamine
SMILESNc1cc(NCc2ccccc2)ncn1
InChIInChI=1S/C11H12N4/c12-10-6-11(15-8-14-10)13-7-9-4-2-1-3-5-9/h1-6,8H,7H2,(H3,12,13,14,15)
InChIKeyOSEJHFUKQYMCGF-UHFFFAOYSA-N
MW200.25 g/mol
LogP1.67
Rot. Bonds3

About 4-N-benzylpyrimidine-4,6-diamine

4-N-benzylpyrimidine-4,6-diamine (PubChem CID 3031503) has the molecular formula C11H12N4 and a molecular weight of 200.25 g/mol. Its IUPAC name is 4-N-benzylpyrimidine-4,6-diamine.

Molecular Properties

Compound Name4-N-benzylpyrimidine-4,6-diamine
PubChem CID3031503
Molecular FormulaC11H12N4
Molecular Weight200.25 g/mol
Exact Mass200.11
IUPAC Name4-N-benzylpyrimidine-4,6-diamine
SMILESNc1cc(NCc2ccccc2)ncn1
InChIInChI=1S/C11H12N4/c12-10-6-11(15-8-14-10)13-7-9-4-2-1-3-5-9/h1-6,8H,7H2,(H3,12,13,14,15)
InChIKeyOSEJHFUKQYMCGF-UHFFFAOYSA-N
XLogP1.67
TPSA63.83 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.25
LogP ≤ 51.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-N-[(4-ethylphenyl)methyl]pyrimidine-4,6-diamine
CID 113231864
4-N-[(3-ethoxyphenyl)methyl]pyrimidine-4,6-diamine
CID 115612215
2-N,4-N-dibenzylpyrimidine-2,4,6-triamine
CID 100996925
6-N-benzyl-4-N,4-N-dimethylpyrimidine-4,6-diamine
CID 102080311
6-N-benzyl-4-N-(2,6-dimethylphenyl)pyrimidine-4,6-diamine
CID 112858793
4-N-phenylpyrimidine-4,6-diamine
CID 3031502
6-N-benzyl-4-N-(3,4-difluorophenyl)pyrimidine-4,6-diamine
CID 112858876
6-N-benzyl-4-N-(2,5-dimethylphenyl)pyrimidine-4,6-diamine
CID 112858790
4-N-benzyl-6-N-[2-(furan-2-yl)ethyl]pyrimidine-4,6-diamine
CID 167864610
6-N-benzyl-4-N-(2-methoxyphenyl)pyrimidine-4,6-diamine
CID 112858817
6-N-benzyl-4-N-(2-propan-2-ylphenyl)pyrimidine-4,6-diamine
CID 112858799
6-N-benzyl-4-N-(2,3-dichlorophenyl)pyrimidine-4,6-diamine
CID 112858865

Frequently Asked Questions

What is the IUPAC name of 4-N-benzylpyrimidine-4,6-diamine?
The IUPAC name of 4-N-benzylpyrimidine-4,6-diamine (CID 3031503) is 4-N-benzylpyrimidine-4,6-diamine.
What is the SMILES notation for 4-N-benzylpyrimidine-4,6-diamine?
The canonical SMILES for 4-N-benzylpyrimidine-4,6-diamine is Nc1cc(NCc2ccccc2)ncn1.
What is the InChIKey of 4-N-benzylpyrimidine-4,6-diamine?
The InChIKey is OSEJHFUKQYMCGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N4/c12-10-6-11(15-8-14-10)13-7-9-4-2-1-3-5-9/h1-6,8H,7H2,(H3,12,13,14,15).
What are the key properties of 4-N-benzylpyrimidine-4,6-diamine?
4-N-benzylpyrimidine-4,6-diamine has a molecular weight of 200.25 g/mol, XLogP of 1.67, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-benzylpyrimidine-4,6-diamine is sourced from PubChem (CID 3031503), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).