5-amino-2-[(E)-2-phenylethenyl]-6-[[(Z)-1-(2-propan-2-ylidenehydrazinyl)prop-1-enyl]amino]pyrimidine-4-carbaldehyde

C19H22N6O — CID 143436175

IUPAC5-amino-2-[(E)-2-phenylethenyl]-6-[[(Z)-1-(2-propan-2-ylidenehydrazinyl)prop-1-enyl]amino]pyrimidine-4-carbaldehyde
SMILESC/C=C(\NN=C(C)C)Nc1nc(/C=C/c2ccccc2)nc(C=O)c1N
InChIInChI=1S/C19H22N6O/c1-4-16(25-24-13(2)3)22-19-18(20)15(12-26)21-17(23-19)11-10-14-8-6-5-7-9-14/h4-12,25H,20H2,1-3H3,(H,21,22,23)/b11-10+,16-4-
InChIKeyJOUSWAJFZBBVRJ-YSGUETPCSA-N
MW350.43 g/mol
LogP3.30
Rot. Bonds7

About 5-amino-2-[(E)-2-phenylethenyl]-6-[[(Z)-1-(2-propan-2-ylidenehydrazinyl)prop-1-enyl]amino]pyrimidine-4-carbaldehyde

5-amino-2-[(E)-2-phenylethenyl]-6-[[(Z)-1-(2-propan-2-ylidenehydrazinyl)prop-1-enyl]amino]pyrimidine-4-carbaldehyde (PubChem CID 143436175) has the molecular formula C19H22N6O and a molecular weight of 350.43 g/mol. Its IUPAC name is 5-amino-2-[(E)-2-phenylethenyl]-6-[[(Z)-1-(2-propan-2-ylidenehydrazinyl)prop-1-enyl]amino]pyrimidine-4-carbaldehyde.

Molecular Properties

Compound Name5-amino-2-[(E)-2-phenylethenyl]-6-[[(Z)-1-(2-propan-2-ylidenehydrazinyl)prop-1-enyl]amino]pyrimidine-4-carbaldehyde
PubChem CID143436175
Molecular FormulaC19H22N6O
Molecular Weight350.43 g/mol
Exact Mass350.19
IUPAC Name5-amino-2-[(E)-2-phenylethenyl]-6-[[(Z)-1-(2-propan-2-ylidenehydrazinyl)prop-1-enyl]amino]pyrimidine-4-carbaldehyde
SMILESC/C=C(\NN=C(C)C)Nc1nc(/C=C/c2ccccc2)nc(C=O)c1N
InChIInChI=1S/C19H22N6O/c1-4-16(25-24-13(2)3)22-19-18(20)15(12-26)21-17(23-19)11-10-14-8-6-5-7-9-14/h4-12,25H,20H2,1-3H3,(H,21,22,23)/b11-10+,16-4-
InChIKeyJOUSWAJFZBBVRJ-YSGUETPCSA-N
XLogP3.30
TPSA105.29 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.43
LogP ≤ 53.30
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

N'-[2-[(E)-2-phenylethenyl]quinazolin-6-yl]ethanimidamide
CID 23085761
acetic acid;stilbene
CID 172803728
(E)-3-phenylprop-2-enoic acid;N-(propan-2-ylideneamino)pyridine-4-carboxamide
CID 139061792
methyl 2-amino-5-(2-phenylethenyl)benzoate
CID 70119663
N-ethyl-2-(2-phenylethenyl)quinazolin-4-amine
CID 58017075
2-acetamido-5-[(E)-2-phenylethenyl]benzoic acid
CID 18405742
2-acetamido-5-(2-phenylethenyl)benzoic acid
CID 70120363
2,4-dimethoxy-6-(2-phenylethenyl)-1,3,5-triazine
CID 86053148
N'-(2-phenylethenyl)ethanimidamide
CID 54086557
2-methyl-N-[(Z)-[(Z)-4-phenylbut-3-en-2-ylidene]amino]quinoline-4-carboxamide
CID 92898718
(5Z)-5-[(4-amino-3,5-ditert-butylphenyl)methylidene]-2-[(E)-2-phenylethenyl]-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-one
CID 170014292
1-[2,3-diacetyl-5-(2-phenylethenyl)phenyl]ethanone
CID 91565814

Frequently Asked Questions

What is the IUPAC name of 5-amino-2-[(E)-2-phenylethenyl]-6-[[(Z)-1-(2-propan-2-ylidenehydrazinyl)prop-1-enyl]amino]pyrimidine-4-carbaldehyde?
The IUPAC name of 5-amino-2-[(E)-2-phenylethenyl]-6-[[(Z)-1-(2-propan-2-ylidenehydrazinyl)prop-1-enyl]amino]pyrimidine-4-carbaldehyde (CID 143436175) is 5-amino-2-[(E)-2-phenylethenyl]-6-[[(Z)-1-(2-propan-2-ylidenehydrazinyl)prop-1-enyl]amino]pyrimidine-4-carbaldehyde.
What is the SMILES notation for 5-amino-2-[(E)-2-phenylethenyl]-6-[[(Z)-1-(2-propan-2-ylidenehydrazinyl)prop-1-enyl]amino]pyrimidine-4-carbaldehyde?
The canonical SMILES for 5-amino-2-[(E)-2-phenylethenyl]-6-[[(Z)-1-(2-propan-2-ylidenehydrazinyl)prop-1-enyl]amino]pyrimidine-4-carbaldehyde is C/C=C(\NN=C(C)C)Nc1nc(/C=C/c2ccccc2)nc(C=O)c1N.
What is the InChIKey of 5-amino-2-[(E)-2-phenylethenyl]-6-[[(Z)-1-(2-propan-2-ylidenehydrazinyl)prop-1-enyl]amino]pyrimidine-4-carbaldehyde?
The InChIKey is JOUSWAJFZBBVRJ-YSGUETPCSA-N. The full InChI is InChI=1S/C19H22N6O/c1-4-16(25-24-13(2)3)22-19-18(20)15(12-26)21-17(23-19)11-10-14-8-6-5-7-9-14/h4-12,25H,20H2,1-3H3,(H,21,22,23)/b11-10+,16-4-.
What are the key properties of 5-amino-2-[(E)-2-phenylethenyl]-6-[[(Z)-1-(2-propan-2-ylidenehydrazinyl)prop-1-enyl]amino]pyrimidine-4-carbaldehyde?
5-amino-2-[(E)-2-phenylethenyl]-6-[[(Z)-1-(2-propan-2-ylidenehydrazinyl)prop-1-enyl]amino]pyrimidine-4-carbaldehyde has a molecular weight of 350.43 g/mol, XLogP of 3.30, 7 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-2-[(E)-2-phenylethenyl]-6-[[(Z)-1-(2-propan-2-ylidenehydrazinyl)prop-1-enyl]amino]pyrimidine-4-carbaldehyde is sourced from PubChem (CID 143436175), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).