4-phenylmethoxy-2,7-bis(prop-2-enylamino)pyrido[2,3-d]pyrimidine-6-carbonitrile

C21H20N6O — CID 102421880

IUPAC4-phenylmethoxy-2,7-bis(prop-2-enylamino)pyrido[2,3-d]pyrimidine-6-carbonitrile
SMILESC=CCNc1nc(OCc2ccccc2)c2cc(C#N)c(NCC=C)nc2n1
InChIInChI=1S/C21H20N6O/c1-3-10-23-18-16(13-22)12-17-19(25-18)26-21(24-11-4-2)27-20(17)28-14-15-8-6-5-7-9-15/h3-9,12H,1-2,10-11,14H2,(H2,23,24,25,26,27)
InChIKeyQDVKTKOLUINWQW-UHFFFAOYSA-N
MW372.43 g/mol
LogP3.67
Rot. Bonds9

About 4-phenylmethoxy-2,7-bis(prop-2-enylamino)pyrido[2,3-d]pyrimidine-6-carbonitrile

4-phenylmethoxy-2,7-bis(prop-2-enylamino)pyrido[2,3-d]pyrimidine-6-carbonitrile (PubChem CID 102421880) has the molecular formula C21H20N6O and a molecular weight of 372.43 g/mol. Its IUPAC name is 4-phenylmethoxy-2,7-bis(prop-2-enylamino)pyrido[2,3-d]pyrimidine-6-carbonitrile.

Molecular Properties

Compound Name4-phenylmethoxy-2,7-bis(prop-2-enylamino)pyrido[2,3-d]pyrimidine-6-carbonitrile
PubChem CID102421880
Molecular FormulaC21H20N6O
Molecular Weight372.43 g/mol
Exact Mass372.17
IUPAC Name4-phenylmethoxy-2,7-bis(prop-2-enylamino)pyrido[2,3-d]pyrimidine-6-carbonitrile
SMILESC=CCNc1nc(OCc2ccccc2)c2cc(C#N)c(NCC=C)nc2n1
InChIInChI=1S/C21H20N6O/c1-3-10-23-18-16(13-22)12-17-19(25-18)26-21(24-11-4-2)27-20(17)28-14-15-8-6-5-7-9-15/h3-9,12H,1-2,10-11,14H2,(H2,23,24,25,26,27)
InChIKeyQDVKTKOLUINWQW-UHFFFAOYSA-N
XLogP3.67
TPSA95.75 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.43
LogP ≤ 53.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

2-phenylmethoxypyridine-3-carbonitrile
CID 12604511
3-chloro-2-(prop-2-enylamino)pyridine-4-carbonitrile
CID 107056845
2-pent-4-enoxyquinoline-3-carbonitrile
CID 79113922
3-phenylmethoxynaphthalene-2-carbonitrile
CID 86260131
4-phenylmethoxynaphthalene-1-carbonitrile
CID 23318695
(4-phenylmethoxyquinazolin-2-yl)hydrazine
CID 80909889
N-ethyl-4-phenylmethoxythieno[2,3-d]pyrimidin-2-amine
CID 103331360
2-methyl-6-phenylmethoxyquinoline-4-carbonitrile
CID 82573318
4-(4-ethylanilino)-2-methylsulfonyl-6-phenylmethoxypyrimidine-5-carbonitrile
CID 123645378
2-phenylmethoxy-5-pyridin-4-ylbenzonitrile
CID 69398181
2-phenylmethoxybenzonitrile;propane
CID 142369146
4-methyl-6-phenylmethoxyquinoline-2-carbonitrile
CID 82573287

Frequently Asked Questions

What is the IUPAC name of 4-phenylmethoxy-2,7-bis(prop-2-enylamino)pyrido[2,3-d]pyrimidine-6-carbonitrile?
The IUPAC name of 4-phenylmethoxy-2,7-bis(prop-2-enylamino)pyrido[2,3-d]pyrimidine-6-carbonitrile (CID 102421880) is 4-phenylmethoxy-2,7-bis(prop-2-enylamino)pyrido[2,3-d]pyrimidine-6-carbonitrile.
What is the SMILES notation for 4-phenylmethoxy-2,7-bis(prop-2-enylamino)pyrido[2,3-d]pyrimidine-6-carbonitrile?
The canonical SMILES for 4-phenylmethoxy-2,7-bis(prop-2-enylamino)pyrido[2,3-d]pyrimidine-6-carbonitrile is C=CCNc1nc(OCc2ccccc2)c2cc(C#N)c(NCC=C)nc2n1.
What is the InChIKey of 4-phenylmethoxy-2,7-bis(prop-2-enylamino)pyrido[2,3-d]pyrimidine-6-carbonitrile?
The InChIKey is QDVKTKOLUINWQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20N6O/c1-3-10-23-18-16(13-22)12-17-19(25-18)26-21(24-11-4-2)27-20(17)28-14-15-8-6-5-7-9-15/h3-9,12H,1-2,10-11,14H2,(H2,23,24,25,26,27).
What are the key properties of 4-phenylmethoxy-2,7-bis(prop-2-enylamino)pyrido[2,3-d]pyrimidine-6-carbonitrile?
4-phenylmethoxy-2,7-bis(prop-2-enylamino)pyrido[2,3-d]pyrimidine-6-carbonitrile has a molecular weight of 372.43 g/mol, XLogP of 3.67, 9 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-phenylmethoxy-2,7-bis(prop-2-enylamino)pyrido[2,3-d]pyrimidine-6-carbonitrile is sourced from PubChem (CID 102421880), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).