2-amino-4-[(4-oxo-2-phenylchromen-3-yl)methylamino]pyrimidine-5-carbonitrile

C21H15N5O2 — CID 175700533

IUPAC2-amino-4-[(4-oxo-2-phenylchromen-3-yl)methylamino]pyrimidine-5-carbonitrile
SMILESN#Cc1cnc(N)nc1NCc1c(-c2ccccc2)oc2ccccc2c1=O
InChIInChI=1S/C21H15N5O2/c22-10-14-11-25-21(23)26-20(14)24-12-16-18(27)15-8-4-5-9-17(15)28-19(16)13-6-2-1-3-7-13/h1-9,11H,12H2,(H3,23,24,25,26)
InChIKeyNCXSHIAETHJSJP-UHFFFAOYSA-N
MW369.38 g/mol
LogP3.32
Rot. Bonds4

About 2-amino-4-[(4-oxo-2-phenylchromen-3-yl)methylamino]pyrimidine-5-carbonitrile

2-amino-4-[(4-oxo-2-phenylchromen-3-yl)methylamino]pyrimidine-5-carbonitrile (PubChem CID 175700533) has the molecular formula C21H15N5O2 and a molecular weight of 369.38 g/mol. Its IUPAC name is 2-amino-4-[(4-oxo-2-phenylchromen-3-yl)methylamino]pyrimidine-5-carbonitrile.

Molecular Properties

Compound Name2-amino-4-[(4-oxo-2-phenylchromen-3-yl)methylamino]pyrimidine-5-carbonitrile
PubChem CID175700533
Molecular FormulaC21H15N5O2
Molecular Weight369.38 g/mol
Exact Mass369.12
IUPAC Name2-amino-4-[(4-oxo-2-phenylchromen-3-yl)methylamino]pyrimidine-5-carbonitrile
SMILESN#Cc1cnc(N)nc1NCc1c(-c2ccccc2)oc2ccccc2c1=O
InChIInChI=1S/C21H15N5O2/c22-10-14-11-25-21(23)26-20(14)24-12-16-18(27)15-8-4-5-9-17(15)28-19(16)13-6-2-1-3-7-13/h1-9,11H,12H2,(H3,23,24,25,26)
InChIKeyNCXSHIAETHJSJP-UHFFFAOYSA-N
XLogP3.32
TPSA117.83 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.38
LogP ≤ 53.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-amino-4-[(4-oxo-2-phenylchromen-3-yl)methylamino]pyrimidine-5-carbonitrile?
The IUPAC name of 2-amino-4-[(4-oxo-2-phenylchromen-3-yl)methylamino]pyrimidine-5-carbonitrile (CID 175700533) is 2-amino-4-[(4-oxo-2-phenylchromen-3-yl)methylamino]pyrimidine-5-carbonitrile.
What is the SMILES notation for 2-amino-4-[(4-oxo-2-phenylchromen-3-yl)methylamino]pyrimidine-5-carbonitrile?
The canonical SMILES for 2-amino-4-[(4-oxo-2-phenylchromen-3-yl)methylamino]pyrimidine-5-carbonitrile is N#Cc1cnc(N)nc1NCc1c(-c2ccccc2)oc2ccccc2c1=O.
What is the InChIKey of 2-amino-4-[(4-oxo-2-phenylchromen-3-yl)methylamino]pyrimidine-5-carbonitrile?
The InChIKey is NCXSHIAETHJSJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H15N5O2/c22-10-14-11-25-21(23)26-20(14)24-12-16-18(27)15-8-4-5-9-17(15)28-19(16)13-6-2-1-3-7-13/h1-9,11H,12H2,(H3,23,24,25,26).
What are the key properties of 2-amino-4-[(4-oxo-2-phenylchromen-3-yl)methylamino]pyrimidine-5-carbonitrile?
2-amino-4-[(4-oxo-2-phenylchromen-3-yl)methylamino]pyrimidine-5-carbonitrile has a molecular weight of 369.38 g/mol, XLogP of 3.32, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-4-[(4-oxo-2-phenylchromen-3-yl)methylamino]pyrimidine-5-carbonitrile is sourced from PubChem (CID 175700533), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).