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

C11H12N6 — CID 143557825

IUPAC4-N-(3-amino-2-methanimidoylphenyl)pyrimidine-2,4-diamine
SMILES[H]/N=C/c1c(N)cccc1Nc1ccnc(N)n1
InChIInChI=1S/C11H12N6/c12-6-7-8(13)2-1-3-9(7)16-10-4-5-15-11(14)17-10/h1-6,12H,13H2,(H3,14,15,16,17)/b12-6+
InChIKeyTVPVDXMDRQLUSR-WUXMJOGZSA-N
MW228.26 g/mol
LogP1.38
Rot. Bonds3

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

4-N-(3-amino-2-methanimidoylphenyl)pyrimidine-2,4-diamine (PubChem CID 143557825) has the molecular formula C11H12N6 and a molecular weight of 228.26 g/mol. Its IUPAC name is 4-N-(3-amino-2-methanimidoylphenyl)pyrimidine-2,4-diamine.

Molecular Properties

Compound Name4-N-(3-amino-2-methanimidoylphenyl)pyrimidine-2,4-diamine
PubChem CID143557825
Molecular FormulaC11H12N6
Molecular Weight228.26 g/mol
Exact Mass228.11
IUPAC Name4-N-(3-amino-2-methanimidoylphenyl)pyrimidine-2,4-diamine
SMILES[H]/N=C/c1c(N)cccc1Nc1ccnc(N)n1
InChIInChI=1S/C11H12N6/c12-6-7-8(13)2-1-3-9(7)16-10-4-5-15-11(14)17-10/h1-6,12H,13H2,(H3,14,15,16,17)/b12-6+
InChIKeyTVPVDXMDRQLUSR-WUXMJOGZSA-N
XLogP1.38
TPSA113.70 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.26
LogP ≤ 51.38
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

4-N-(2-bromo-3-chlorophenyl)pyrimidine-2,4-diamine
CID 103481957
2-methanimidoylbenzene-1,3-diamine
CID 88563224
4-N-(2-fluorophenyl)pyrimidine-2,4-diamine
CID 80761249
4-N-(1H-isoindol-4-yl)pyrimidine-2,4-diamine
CID 158484232
3-(2-aminophenyl)-2-methanimidoyl-N-phenylaniline
CID 144892818
N-(3-amino-2-methanimidoylphenyl)-2-methylpropanamide
CID 156811982
3-iodo-2-methanimidoylaniline
CID 147995375
(E)-4-[2-amino-5-[(2-aminopyrimidin-4-yl)amino]-3-methanimidoylphenyl]but-3-en-1-ol
CID 143557640
4-N-[4-amino-3-[3-(dimethylamino)prop-1-ynyl]-5-methanimidoylphenyl]pyrimidine-2,4-diamine
CID 143557614
4-N-[3-[3-(aminomethyl)phenyl]-5-methanimidoyl-4-(methylamino)phenyl]pyrimidine-2,4-diamine
CID 89329417
2-amino-5-[(2-aminopyrimidin-4-yl)amino]benzenecarboximidoyl iodide
CID 143557243
4-N-[4-amino-3-(4-fluoro-3-methylphenyl)-5-methanimidoylphenyl]pyrimidine-2,4-diamine
CID 143557319

Frequently Asked Questions

What is the IUPAC name of 4-N-(3-amino-2-methanimidoylphenyl)pyrimidine-2,4-diamine?
The IUPAC name of 4-N-(3-amino-2-methanimidoylphenyl)pyrimidine-2,4-diamine (CID 143557825) is 4-N-(3-amino-2-methanimidoylphenyl)pyrimidine-2,4-diamine.
What is the SMILES notation for 4-N-(3-amino-2-methanimidoylphenyl)pyrimidine-2,4-diamine?
The canonical SMILES for 4-N-(3-amino-2-methanimidoylphenyl)pyrimidine-2,4-diamine is [H]/N=C/c1c(N)cccc1Nc1ccnc(N)n1.
What is the InChIKey of 4-N-(3-amino-2-methanimidoylphenyl)pyrimidine-2,4-diamine?
The InChIKey is TVPVDXMDRQLUSR-WUXMJOGZSA-N. The full InChI is InChI=1S/C11H12N6/c12-6-7-8(13)2-1-3-9(7)16-10-4-5-15-11(14)17-10/h1-6,12H,13H2,(H3,14,15,16,17)/b12-6+.
What are the key properties of 4-N-(3-amino-2-methanimidoylphenyl)pyrimidine-2,4-diamine?
4-N-(3-amino-2-methanimidoylphenyl)pyrimidine-2,4-diamine has a molecular weight of 228.26 g/mol, XLogP of 1.38, 3 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-(3-amino-2-methanimidoylphenyl)pyrimidine-2,4-diamine is sourced from PubChem (CID 143557825), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).