[6-[methyl-[(E)-pyridin-2-ylmethylideneamino]amino]-2-phenylpyrimidin-4-yl]methanol

C18H17N5O — CID 139118596

IUPAC[6-[methyl-[(E)-pyridin-2-ylmethylideneamino]amino]-2-phenylpyrimidin-4-yl]methanol
SMILESCN(/N=C/c1ccccn1)c1cc(CO)nc(-c2ccccc2)n1
InChIInChI=1S/C18H17N5O/c1-23(20-12-15-9-5-6-10-19-15)17-11-16(13-24)21-18(22-17)14-7-3-2-4-8-14/h2-12,24H,13H2,1H3/b20-12+
InChIKeyUOZVQXPUMNHGMJ-UDWIEESQSA-N
MW319.37 g/mol
LogP2.50
Rot. Bonds5

About [6-[methyl-[(E)-pyridin-2-ylmethylideneamino]amino]-2-phenylpyrimidin-4-yl]methanol

[6-[methyl-[(E)-pyridin-2-ylmethylideneamino]amino]-2-phenylpyrimidin-4-yl]methanol (PubChem CID 139118596) has the molecular formula C18H17N5O and a molecular weight of 319.37 g/mol. Its IUPAC name is [6-[methyl-[(E)-pyridin-2-ylmethylideneamino]amino]-2-phenylpyrimidin-4-yl]methanol.

Molecular Properties

Compound Name[6-[methyl-[(E)-pyridin-2-ylmethylideneamino]amino]-2-phenylpyrimidin-4-yl]methanol
PubChem CID139118596
Molecular FormulaC18H17N5O
Molecular Weight319.37 g/mol
Exact Mass319.14
IUPAC Name[6-[methyl-[(E)-pyridin-2-ylmethylideneamino]amino]-2-phenylpyrimidin-4-yl]methanol
SMILESCN(/N=C/c1ccccn1)c1cc(CO)nc(-c2ccccc2)n1
InChIInChI=1S/C18H17N5O/c1-23(20-12-15-9-5-6-10-19-15)17-11-16(13-24)21-18(22-17)14-7-3-2-4-8-14/h2-12,24H,13H2,1H3/b20-12+
InChIKeyUOZVQXPUMNHGMJ-UDWIEESQSA-N
XLogP2.50
TPSA74.50 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.37
LogP ≤ 52.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze [6-[methyl-[(E)-pyridin-2-ylmethylideneamino]amino]-2-phenylpyrimidin-4-yl]methanol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-N,6-N-dimethyl-4-N,6-N-bis[(E)-[6-[(E)-[methyl(pyridin-2-yl)hydrazinylidene]methyl]-2-pyridinyl]methylideneamino]pyrimidine-4,6-diamine
CID 139183149
2-[[(2S)-2-methyl-3-sulfanylpropanoyl]-[(Z)-pyridin-2-ylmethylideneamino]amino]acetic acid
CID 88623366
methyl 2-[[2-[[6-[[2-[(2-methoxy-2-oxoethyl)amino]-2-oxoethyl]-[(E)-pyridin-2-ylmethylideneamino]amino]pyrimidin-4-yl]-[(E)-pyridin-2-ylmethylideneamino]amino]acetyl]amino]acetate
CID 177433438
N-naphthalen-2-yl-N-[(E)-pyridin-2-ylmethylideneamino]naphthalen-2-amine
CID 71606172
(6-methyl-2-pyridin-2-ylpyrimidin-4-yl)methanol
CID 62743365
N-methyl-1,1-dioxo-N-(pyridin-2-ylmethylideneamino)-1,2-benzothiazol-3-amine
CID 5237949
6-(dimethylamino)-2-phenylpyrimidine-4-carboxylic acid
CID 82170133
6-[amino(methyl)amino]-N-methyl-N-[(E)-[5-[(E)-[methyl(pyridin-2-yl)hydrazinylidene]methyl]pyrazin-2-yl]methylideneamino]pyrimidin-4-amine
CID 177430925
4-N,6-N-dimethyl-4-N,6-N-bis[(E)-quinolin-2-ylmethylideneamino]pyrimidine-4,6-diamine
CID 177496979
6-(2-aminoethyl)-N,N-dimethyl-2-pyridin-2-ylpyrimidin-4-amine
CID 51598656
N-(cinnamylideneamino)-N-methylpyridin-2-amine
CID 2838692
4-N-phenyl-4-N-[(E)-pyridin-2-ylmethylideneamino]benzene-1,4-diamine
CID 71606501

Frequently Asked Questions

What is the IUPAC name of [6-[methyl-[(E)-pyridin-2-ylmethylideneamino]amino]-2-phenylpyrimidin-4-yl]methanol?
The IUPAC name of [6-[methyl-[(E)-pyridin-2-ylmethylideneamino]amino]-2-phenylpyrimidin-4-yl]methanol (CID 139118596) is [6-[methyl-[(E)-pyridin-2-ylmethylideneamino]amino]-2-phenylpyrimidin-4-yl]methanol.
What is the SMILES notation for [6-[methyl-[(E)-pyridin-2-ylmethylideneamino]amino]-2-phenylpyrimidin-4-yl]methanol?
The canonical SMILES for [6-[methyl-[(E)-pyridin-2-ylmethylideneamino]amino]-2-phenylpyrimidin-4-yl]methanol is CN(/N=C/c1ccccn1)c1cc(CO)nc(-c2ccccc2)n1.
What is the InChIKey of [6-[methyl-[(E)-pyridin-2-ylmethylideneamino]amino]-2-phenylpyrimidin-4-yl]methanol?
The InChIKey is UOZVQXPUMNHGMJ-UDWIEESQSA-N. The full InChI is InChI=1S/C18H17N5O/c1-23(20-12-15-9-5-6-10-19-15)17-11-16(13-24)21-18(22-17)14-7-3-2-4-8-14/h2-12,24H,13H2,1H3/b20-12+.
What are the key properties of [6-[methyl-[(E)-pyridin-2-ylmethylideneamino]amino]-2-phenylpyrimidin-4-yl]methanol?
[6-[methyl-[(E)-pyridin-2-ylmethylideneamino]amino]-2-phenylpyrimidin-4-yl]methanol has a molecular weight of 319.37 g/mol, XLogP of 2.50, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [6-[methyl-[(E)-pyridin-2-ylmethylideneamino]amino]-2-phenylpyrimidin-4-yl]methanol is sourced from PubChem (CID 139118596), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).