4-N-(4-amino-3-methylphenyl)pyrimidine-2,4-diamine

C11H13N5 — CID 143557696

IUPAC4-N-(4-amino-3-methylphenyl)pyrimidine-2,4-diamine
SMILESCc1cc(Nc2ccnc(N)n2)ccc1N
InChIInChI=1S/C11H13N5/c1-7-6-8(2-3-9(7)12)15-10-4-5-14-11(13)16-10/h2-6H,12H2,1H3,(H3,13,14,15,16)
InChIKeyAFCITQOLIWRRGN-UHFFFAOYSA-N
MW215.26 g/mol
LogP1.69
Rot. Bonds2

About 4-N-(4-amino-3-methylphenyl)pyrimidine-2,4-diamine

4-N-(4-amino-3-methylphenyl)pyrimidine-2,4-diamine (PubChem CID 143557696) has the molecular formula C11H13N5 and a molecular weight of 215.26 g/mol. Its IUPAC name is 4-N-(4-amino-3-methylphenyl)pyrimidine-2,4-diamine.

Molecular Properties

Compound Name4-N-(4-amino-3-methylphenyl)pyrimidine-2,4-diamine
PubChem CID143557696
Molecular FormulaC11H13N5
Molecular Weight215.26 g/mol
Exact Mass215.12
IUPAC Name4-N-(4-amino-3-methylphenyl)pyrimidine-2,4-diamine
SMILESCc1cc(Nc2ccnc(N)n2)ccc1N
InChIInChI=1S/C11H13N5/c1-7-6-8(2-3-9(7)12)15-10-4-5-14-11(13)16-10/h2-6H,12H2,1H3,(H3,13,14,15,16)
InChIKeyAFCITQOLIWRRGN-UHFFFAOYSA-N
XLogP1.69
TPSA89.85 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.26
LogP ≤ 51.69
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

4-N-(4-bromo-3-fluorophenyl)pyrimidine-2,4-diamine
CID 80843375
2-amino-5-[(2-aminopyrimidin-4-yl)amino]benzenecarboximidoyl iodide
CID 143557243
4-N-(4-amino-3-ethanimidoylphenyl)pyrimidine-2,4-diamine;ethane;ethane-1,1-diol
CID 143557339
4-N-[4-amino-3-(3-methylbenzenecarboximidoyl)phenyl]pyrimidine-2,4-diamine
CID 143557530
4-N-(3-chloro-4-fluorophenyl)pyrimidine-2,4-diamine
CID 80755292
N-[4-[(2-aminopyrimidin-4-yl)amino]-3-methylphenyl]acetamide;hydrochloride
CID 160584950
4-N-(4-fluoro-2,6-dimethylphenyl)pyrimidine-2,4-diamine
CID 72708993
5-[(2-aminopyrimidin-4-yl)amino]isoindole-1,3-dione
CID 80760234
2-N,4-N-bis(3,4-dimethylphenyl)pyrimidine-2,4-diamine;hydrochloride
CID 71671107
4-N-(2,5-dichloro-4-methylphenyl)pyrimidine-2,4-diamine
CID 104728696
4-N-[4-(2-aminoethyl)phenyl]pyrimidine-2,4-diamine
CID 58393152
4-[(2-aminopyrimidin-4-yl)amino]-3,5-dimethylbenzaldehyde
CID 155906575

Frequently Asked Questions

What is the IUPAC name of 4-N-(4-amino-3-methylphenyl)pyrimidine-2,4-diamine?
The IUPAC name of 4-N-(4-amino-3-methylphenyl)pyrimidine-2,4-diamine (CID 143557696) is 4-N-(4-amino-3-methylphenyl)pyrimidine-2,4-diamine.
What is the SMILES notation for 4-N-(4-amino-3-methylphenyl)pyrimidine-2,4-diamine?
The canonical SMILES for 4-N-(4-amino-3-methylphenyl)pyrimidine-2,4-diamine is Cc1cc(Nc2ccnc(N)n2)ccc1N.
What is the InChIKey of 4-N-(4-amino-3-methylphenyl)pyrimidine-2,4-diamine?
The InChIKey is AFCITQOLIWRRGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N5/c1-7-6-8(2-3-9(7)12)15-10-4-5-14-11(13)16-10/h2-6H,12H2,1H3,(H3,13,14,15,16).
What are the key properties of 4-N-(4-amino-3-methylphenyl)pyrimidine-2,4-diamine?
4-N-(4-amino-3-methylphenyl)pyrimidine-2,4-diamine has a molecular weight of 215.26 g/mol, XLogP of 1.69, 2 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-(4-amino-3-methylphenyl)pyrimidine-2,4-diamine is sourced from PubChem (CID 143557696), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).