(2Z)-1-[[4-methyl-6-[(5-methyl-1,2-oxazol-3-yl)amino]pyrimidin-2-yl]amino]-4-phenylpenta-2,4-dien-2-olate

C20H20N5O2- — CID 143702152

IUPAC(2Z)-1-[[4-methyl-6-[(5-methyl-1,2-oxazol-3-yl)amino]pyrimidin-2-yl]amino]-4-phenylpenta-2,4-dien-2-olate
SMILESC=C(/C=C(\[O-])CNc1nc(C)cc(Nc2cc(C)on2)n1)c1ccccc1
InChIInChI=1S/C20H21N5O2/c1-13(16-7-5-4-6-8-16)9-17(26)12-21-20-22-14(2)10-18(24-20)23-19-11-15(3)27-25-19/h4-11,26H,1,12H2,2-3H3,(H2,21,22,23,24,25)/p-1/b17-9-
InChIKeyAMJRQTHBVAJPBG-MFOYZWKCSA-M
MW362.41 g/mol
LogP3.19
Rot. Bonds7

About (2Z)-1-[[4-methyl-6-[(5-methyl-1,2-oxazol-3-yl)amino]pyrimidin-2-yl]amino]-4-phenylpenta-2,4-dien-2-olate

(2Z)-1-[[4-methyl-6-[(5-methyl-1,2-oxazol-3-yl)amino]pyrimidin-2-yl]amino]-4-phenylpenta-2,4-dien-2-olate (PubChem CID 143702152) has the molecular formula C20H20N5O2- and a molecular weight of 362.41 g/mol. Its IUPAC name is (2Z)-1-[[4-methyl-6-[(5-methyl-1,2-oxazol-3-yl)amino]pyrimidin-2-yl]amino]-4-phenylpenta-2,4-dien-2-olate.

Molecular Properties

Compound Name(2Z)-1-[[4-methyl-6-[(5-methyl-1,2-oxazol-3-yl)amino]pyrimidin-2-yl]amino]-4-phenylpenta-2,4-dien-2-olate
PubChem CID143702152
Molecular FormulaC20H20N5O2-
Molecular Weight362.41 g/mol
Exact Mass362.16
IUPAC Name(2Z)-1-[[4-methyl-6-[(5-methyl-1,2-oxazol-3-yl)amino]pyrimidin-2-yl]amino]-4-phenylpenta-2,4-dien-2-olate
SMILESC=C(/C=C(\[O-])CNc1nc(C)cc(Nc2cc(C)on2)n1)c1ccccc1
InChIInChI=1S/C20H21N5O2/c1-13(16-7-5-4-6-8-16)9-17(26)12-21-20-22-14(2)10-18(24-20)23-19-11-15(3)27-25-19/h4-11,26H,1,12H2,2-3H3,(H2,21,22,23,24,25)/p-1/b17-9-
InChIKeyAMJRQTHBVAJPBG-MFOYZWKCSA-M
XLogP3.19
TPSA98.93 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.41
LogP ≤ 53.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

Analyze (2Z)-1-[[4-methyl-6-[(5-methyl-1,2-oxazol-3-yl)amino]pyrimidin-2-yl]amino]-4-phenylpenta-2,4-dien-2-olate with MolForge

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Launch Full Analysis

Related Compounds

6-methyl-4-N-(5-methyl-1,2-oxazol-3-yl)-2-N-prop-2-enylpyrimidine-2,4-diamine
CID 112908076
2-N-[(2Z)-2-methoxy-4-phenylpenta-2,4-dienyl]-6-methyl-4-N-naphthalen-2-ylpyrimidine-2,4-diamine
CID 89234413
2-N-[(4-methoxyphenyl)methyl]-6-methyl-4-N-(5-methyl-1,2-oxazol-3-yl)pyrimidine-2,4-diamine
CID 112918669
6-methyl-4-N-(5-methyl-1,2-oxazol-3-yl)-2-N-(4-phenoxyphenyl)pyrimidine-2,4-diamine
CID 112931859
2-N-[2-(4-chlorophenyl)ethyl]-6-methyl-4-N-(5-methyl-1,2-oxazol-3-yl)pyrimidine-2,4-diamine
CID 112922714
2-N-(2-ethylphenyl)-6-methyl-4-N-(5-methyl-1,2-oxazol-3-yl)pyrimidine-2,4-diamine
CID 112928662
6-methyl-4-N-(5-methyl-1,2-oxazol-3-yl)-2-N-(2-phenoxyphenyl)pyrimidine-2,4-diamine
CID 112932160
4-amino-1-[[4-methyl-6-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]amino]-4-phenylbut-3-en-2-one
CID 143605485
2-N-(4-chlorophenyl)-6-methyl-4-N-(5-methyl-1,2-oxazol-3-yl)pyrimidine-2,4-diamine
CID 112929887
4-N-benzyl-2-N-[(Z)-4-imino-2-methoxy-4-phenylbut-2-enyl]-6-methylpyrimidine-2,4-diamine
CID 89265487
4-[[4-methyl-6-[(5-methyl-1,2-oxazol-3-yl)amino]pyrimidin-2-yl]amino]benzonitrile
CID 112932340
4-N-(5-methyl-1,2-oxazol-3-yl)-2-N-(2-methylpropyl)-6-phenylpyrimidine-2,4-diamine
CID 112933893

Frequently Asked Questions

What is the IUPAC name of (2Z)-1-[[4-methyl-6-[(5-methyl-1,2-oxazol-3-yl)amino]pyrimidin-2-yl]amino]-4-phenylpenta-2,4-dien-2-olate?
The IUPAC name of (2Z)-1-[[4-methyl-6-[(5-methyl-1,2-oxazol-3-yl)amino]pyrimidin-2-yl]amino]-4-phenylpenta-2,4-dien-2-olate (CID 143702152) is (2Z)-1-[[4-methyl-6-[(5-methyl-1,2-oxazol-3-yl)amino]pyrimidin-2-yl]amino]-4-phenylpenta-2,4-dien-2-olate.
What is the SMILES notation for (2Z)-1-[[4-methyl-6-[(5-methyl-1,2-oxazol-3-yl)amino]pyrimidin-2-yl]amino]-4-phenylpenta-2,4-dien-2-olate?
The canonical SMILES for (2Z)-1-[[4-methyl-6-[(5-methyl-1,2-oxazol-3-yl)amino]pyrimidin-2-yl]amino]-4-phenylpenta-2,4-dien-2-olate is C=C(/C=C(\[O-])CNc1nc(C)cc(Nc2cc(C)on2)n1)c1ccccc1.
What is the InChIKey of (2Z)-1-[[4-methyl-6-[(5-methyl-1,2-oxazol-3-yl)amino]pyrimidin-2-yl]amino]-4-phenylpenta-2,4-dien-2-olate?
The InChIKey is AMJRQTHBVAJPBG-MFOYZWKCSA-M. The full InChI is InChI=1S/C20H21N5O2/c1-13(16-7-5-4-6-8-16)9-17(26)12-21-20-22-14(2)10-18(24-20)23-19-11-15(3)27-25-19/h4-11,26H,1,12H2,2-3H3,(H2,21,22,23,24,25)/p-1/b17-9-.
What are the key properties of (2Z)-1-[[4-methyl-6-[(5-methyl-1,2-oxazol-3-yl)amino]pyrimidin-2-yl]amino]-4-phenylpenta-2,4-dien-2-olate?
(2Z)-1-[[4-methyl-6-[(5-methyl-1,2-oxazol-3-yl)amino]pyrimidin-2-yl]amino]-4-phenylpenta-2,4-dien-2-olate has a molecular weight of 362.41 g/mol, XLogP of 3.19, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (2Z)-1-[[4-methyl-6-[(5-methyl-1,2-oxazol-3-yl)amino]pyrimidin-2-yl]amino]-4-phenylpenta-2,4-dien-2-olate is sourced from PubChem (CID 143702152), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).