5-(benzenecarboximidoyl)-2-N-phenylpyrimidine-2,4-diamine;methoxymethane

C19H21N5O — CID 143150930

IUPAC5-(benzenecarboximidoyl)-2-N-phenylpyrimidine-2,4-diamine;methoxymethane
SMILESCOC.[H]/N=C(\c1ccccc1)c1cnc(Nc2ccccc2)nc1N
InChIInChI=1S/C17H15N5.C2H6O/c18-15(12-7-3-1-4-8-12)14-11-20-17(22-16(14)19)21-13-9-5-2-6-10-13;1-3-2/h1-11,18H,(H3,19,20,21,22);1-2H3/b18-15+;
InChIKeyCMKZDSJCOYRIIC-FLNCGGNMSA-N
MW335.41 g/mol
LogP3.48
Rot. Bonds4

About 5-(benzenecarboximidoyl)-2-N-phenylpyrimidine-2,4-diamine;methoxymethane

5-(benzenecarboximidoyl)-2-N-phenylpyrimidine-2,4-diamine;methoxymethane (PubChem CID 143150930) has the molecular formula C19H21N5O and a molecular weight of 335.41 g/mol. Its IUPAC name is 5-(benzenecarboximidoyl)-2-N-phenylpyrimidine-2,4-diamine;methoxymethane.

Molecular Properties

Compound Name5-(benzenecarboximidoyl)-2-N-phenylpyrimidine-2,4-diamine;methoxymethane
PubChem CID143150930
Molecular FormulaC19H21N5O
Molecular Weight335.41 g/mol
Exact Mass335.17
IUPAC Name5-(benzenecarboximidoyl)-2-N-phenylpyrimidine-2,4-diamine;methoxymethane
SMILESCOC.[H]/N=C(\c1ccccc1)c1cnc(Nc2ccccc2)nc1N
InChIInChI=1S/C17H15N5.C2H6O/c18-15(12-7-3-1-4-8-12)14-11-20-17(22-16(14)19)21-13-9-5-2-6-10-13;1-3-2/h1-11,18H,(H3,19,20,21,22);1-2H3/b18-15+;
InChIKeyCMKZDSJCOYRIIC-FLNCGGNMSA-N
XLogP3.48
TPSA96.91 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.41
LogP ≤ 53.48
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

5-(benzenecarboximidoyl)-2-N-phenyl-4-N-propan-2-ylpyrimidine-2,4-diamine
CID 144944099
5-N-methyl-2-N-phenylpyrimidine-2,4,5-triamine
CID 175235509
ethyl (E)-3-(4-amino-2-anilinopyrimidin-5-yl)prop-2-enoate
CID 18375025
1-[4-amino-2-(4-methylanilino)pyrimidin-5-yl]ethanone
CID 143902091
5-(benzenecarboximidoyl)-4-N-(cyclohexylmethyl)-2-N-methylpyrimidine-2,4-diamine
CID 144944091
3-(4-methoxybenzenecarboximidoyl)pyridin-2-amine
CID 87796835
methyl 4-[[4-anilino-5-(methylcarbamoyl)pyrimidin-2-yl]amino]benzoate
CID 143285064
(4-methoxyphenyl)-phenylmethanimine
CID 10856767
5-fluoro-4-methoxy-N-phenylpyrimidin-2-amine
CID 121221051
5-(4-bromophenyl)-2-N-phenylpyrimidine-2,4-diamine
CID 104609431
4-[(4-anilino-5-carbamoylpyrimidin-2-yl)amino]benzoic acid
CID 143285070
2-N-[2-[(4,6-dianilino-1,3,5-triazin-2-yl)amino]-1,2-diphenylethenyl]-4-N,6-N-diphenyl-1,3,5-triazine-2,4,6-triamine
CID 141338844

Frequently Asked Questions

What is the IUPAC name of 5-(benzenecarboximidoyl)-2-N-phenylpyrimidine-2,4-diamine;methoxymethane?
The IUPAC name of 5-(benzenecarboximidoyl)-2-N-phenylpyrimidine-2,4-diamine;methoxymethane (CID 143150930) is 5-(benzenecarboximidoyl)-2-N-phenylpyrimidine-2,4-diamine;methoxymethane.
What is the SMILES notation for 5-(benzenecarboximidoyl)-2-N-phenylpyrimidine-2,4-diamine;methoxymethane?
The canonical SMILES for 5-(benzenecarboximidoyl)-2-N-phenylpyrimidine-2,4-diamine;methoxymethane is COC.[H]/N=C(\c1ccccc1)c1cnc(Nc2ccccc2)nc1N.
What is the InChIKey of 5-(benzenecarboximidoyl)-2-N-phenylpyrimidine-2,4-diamine;methoxymethane?
The InChIKey is CMKZDSJCOYRIIC-FLNCGGNMSA-N. The full InChI is InChI=1S/C17H15N5.C2H6O/c18-15(12-7-3-1-4-8-12)14-11-20-17(22-16(14)19)21-13-9-5-2-6-10-13;1-3-2/h1-11,18H,(H3,19,20,21,22);1-2H3/b18-15+;.
What are the key properties of 5-(benzenecarboximidoyl)-2-N-phenylpyrimidine-2,4-diamine;methoxymethane?
5-(benzenecarboximidoyl)-2-N-phenylpyrimidine-2,4-diamine;methoxymethane has a molecular weight of 335.41 g/mol, XLogP of 3.48, 4 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(benzenecarboximidoyl)-2-N-phenylpyrimidine-2,4-diamine;methoxymethane is sourced from PubChem (CID 143150930), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).