4-amino-2-[(2-oxochromen-6-yl)amino]-6-phenylpyrimidine-5-carbonitrile

C20H13N5O2 — CID 56673824

IUPAC4-amino-2-[(2-oxochromen-6-yl)amino]-6-phenylpyrimidine-5-carbonitrile
SMILESN#Cc1c(N)nc(Nc2ccc3oc(=O)ccc3c2)nc1-c1ccccc1
InChIInChI=1S/C20H13N5O2/c21-11-15-18(12-4-2-1-3-5-12)24-20(25-19(15)22)23-14-7-8-16-13(10-14)6-9-17(26)27-16/h1-10H,(H3,22,23,24,25)
InChIKeyRIDXZDUCUFNDJP-UHFFFAOYSA-N
MW355.36 g/mol
LogP3.45
Rot. Bonds3

About 4-amino-2-[(2-oxochromen-6-yl)amino]-6-phenylpyrimidine-5-carbonitrile

4-amino-2-[(2-oxochromen-6-yl)amino]-6-phenylpyrimidine-5-carbonitrile (PubChem CID 56673824) has the molecular formula C20H13N5O2 and a molecular weight of 355.36 g/mol. Its IUPAC name is 4-amino-2-[(2-oxochromen-6-yl)amino]-6-phenylpyrimidine-5-carbonitrile.

Molecular Properties

Compound Name4-amino-2-[(2-oxochromen-6-yl)amino]-6-phenylpyrimidine-5-carbonitrile
PubChem CID56673824
Molecular FormulaC20H13N5O2
Molecular Weight355.36 g/mol
Exact Mass355.11
IUPAC Name4-amino-2-[(2-oxochromen-6-yl)amino]-6-phenylpyrimidine-5-carbonitrile
SMILESN#Cc1c(N)nc(Nc2ccc3oc(=O)ccc3c2)nc1-c1ccccc1
InChIInChI=1S/C20H13N5O2/c21-11-15-18(12-4-2-1-3-5-12)24-20(25-19(15)22)23-14-7-8-16-13(10-14)6-9-17(26)27-16/h1-10H,(H3,22,23,24,25)
InChIKeyRIDXZDUCUFNDJP-UHFFFAOYSA-N
XLogP3.45
TPSA117.83 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.36
LogP ≤ 53.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-amino-2-[(2-oxochromen-6-yl)amino]-6-phenylpyrimidine-5-carbonitrile?
The IUPAC name of 4-amino-2-[(2-oxochromen-6-yl)amino]-6-phenylpyrimidine-5-carbonitrile (CID 56673824) is 4-amino-2-[(2-oxochromen-6-yl)amino]-6-phenylpyrimidine-5-carbonitrile.
What is the SMILES notation for 4-amino-2-[(2-oxochromen-6-yl)amino]-6-phenylpyrimidine-5-carbonitrile?
The canonical SMILES for 4-amino-2-[(2-oxochromen-6-yl)amino]-6-phenylpyrimidine-5-carbonitrile is N#Cc1c(N)nc(Nc2ccc3oc(=O)ccc3c2)nc1-c1ccccc1.
What is the InChIKey of 4-amino-2-[(2-oxochromen-6-yl)amino]-6-phenylpyrimidine-5-carbonitrile?
The InChIKey is RIDXZDUCUFNDJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H13N5O2/c21-11-15-18(12-4-2-1-3-5-12)24-20(25-19(15)22)23-14-7-8-16-13(10-14)6-9-17(26)27-16/h1-10H,(H3,22,23,24,25).
What are the key properties of 4-amino-2-[(2-oxochromen-6-yl)amino]-6-phenylpyrimidine-5-carbonitrile?
4-amino-2-[(2-oxochromen-6-yl)amino]-6-phenylpyrimidine-5-carbonitrile has a molecular weight of 355.36 g/mol, XLogP of 3.45, 3 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-2-[(2-oxochromen-6-yl)amino]-6-phenylpyrimidine-5-carbonitrile is sourced from PubChem (CID 56673824), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).