4-amino-2-(3,4-dihydro-2H-pyrimido[1,2-c]quinazolin-10-yloxy)pyridine-3-carbonitrile

C17H14N6O — CID 138501230

IUPAC4-amino-2-(3,4-dihydro-2H-pyrimido[1,2-c]quinazolin-10-yloxy)pyridine-3-carbonitrile
SMILESN#Cc1c(N)ccnc1Oc1ccc2c(c1)C1=NCCCN1C=N2
InChIInChI=1S/C17H14N6O/c18-9-13-14(19)4-6-21-17(13)24-11-2-3-15-12(8-11)16-20-5-1-7-23(16)10-22-15/h2-4,6,8,10H,1,5,7H2,(H2,19,21)
InChIKeyJWVJVVQBYSKCFL-UHFFFAOYSA-N
MW318.34 g/mol
LogP2.45
Rot. Bonds2

About 4-amino-2-(3,4-dihydro-2H-pyrimido[1,2-c]quinazolin-10-yloxy)pyridine-3-carbonitrile

4-amino-2-(3,4-dihydro-2H-pyrimido[1,2-c]quinazolin-10-yloxy)pyridine-3-carbonitrile (PubChem CID 138501230) has the molecular formula C17H14N6O and a molecular weight of 318.34 g/mol. Its IUPAC name is 4-amino-2-(3,4-dihydro-2H-pyrimido[1,2-c]quinazolin-10-yloxy)pyridine-3-carbonitrile.

Molecular Properties

Compound Name4-amino-2-(3,4-dihydro-2H-pyrimido[1,2-c]quinazolin-10-yloxy)pyridine-3-carbonitrile
PubChem CID138501230
Molecular FormulaC17H14N6O
Molecular Weight318.34 g/mol
Exact Mass318.12
IUPAC Name4-amino-2-(3,4-dihydro-2H-pyrimido[1,2-c]quinazolin-10-yloxy)pyridine-3-carbonitrile
SMILESN#Cc1c(N)ccnc1Oc1ccc2c(c1)C1=NCCCN1C=N2
InChIInChI=1S/C17H14N6O/c18-9-13-14(19)4-6-21-17(13)24-11-2-3-15-12(8-11)16-20-5-1-7-23(16)10-22-15/h2-4,6,8,10H,1,5,7H2,(H2,19,21)
InChIKeyJWVJVVQBYSKCFL-UHFFFAOYSA-N
XLogP2.45
TPSA99.89 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.34
LogP ≤ 52.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 4-amino-2-(3,4-dihydro-2H-pyrimido[1,2-c]quinazolin-10-yloxy)pyridine-3-carbonitrile?
The IUPAC name of 4-amino-2-(3,4-dihydro-2H-pyrimido[1,2-c]quinazolin-10-yloxy)pyridine-3-carbonitrile (CID 138501230) is 4-amino-2-(3,4-dihydro-2H-pyrimido[1,2-c]quinazolin-10-yloxy)pyridine-3-carbonitrile.
What is the SMILES notation for 4-amino-2-(3,4-dihydro-2H-pyrimido[1,2-c]quinazolin-10-yloxy)pyridine-3-carbonitrile?
The canonical SMILES for 4-amino-2-(3,4-dihydro-2H-pyrimido[1,2-c]quinazolin-10-yloxy)pyridine-3-carbonitrile is N#Cc1c(N)ccnc1Oc1ccc2c(c1)C1=NCCCN1C=N2.
What is the InChIKey of 4-amino-2-(3,4-dihydro-2H-pyrimido[1,2-c]quinazolin-10-yloxy)pyridine-3-carbonitrile?
The InChIKey is JWVJVVQBYSKCFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14N6O/c18-9-13-14(19)4-6-21-17(13)24-11-2-3-15-12(8-11)16-20-5-1-7-23(16)10-22-15/h2-4,6,8,10H,1,5,7H2,(H2,19,21).
What are the key properties of 4-amino-2-(3,4-dihydro-2H-pyrimido[1,2-c]quinazolin-10-yloxy)pyridine-3-carbonitrile?
4-amino-2-(3,4-dihydro-2H-pyrimido[1,2-c]quinazolin-10-yloxy)pyridine-3-carbonitrile has a molecular weight of 318.34 g/mol, XLogP of 2.45, 2 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-2-(3,4-dihydro-2H-pyrimido[1,2-c]quinazolin-10-yloxy)pyridine-3-carbonitrile is sourced from PubChem (CID 138501230), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).