2-amino-N-(7,8-dimethoxy-2,3-dihydro-1H-imidazo[1,2-c]quinazolin-5-ylidene)pyrimidine-5-carboxamide

C17H17N7O3 — CID 138718755

IUPAC2-amino-N-(7,8-dimethoxy-2,3-dihydro-1H-imidazo[1,2-c]quinazolin-5-ylidene)pyrimidine-5-carboxamide
SMILESCOc1ccc2c3n(/c(=N/C(=O)c4cnc(N)nc4)nc2c1OC)CCN3
InChIInChI=1S/C17H17N7O3/c1-26-11-4-3-10-12(13(11)27-2)22-17(24-6-5-19-14(10)24)23-15(25)9-7-20-16(18)21-8-9/h3-4,7-8,19H,5-6H2,1-2H3,(H2,18,20,21)/b23-17+
InChIKeyQKJAOVJHUHVRSK-HAVVHWLPSA-N
MW367.37 g/mol
LogP0.59
Rot. Bonds3

About 2-amino-N-(7,8-dimethoxy-2,3-dihydro-1H-imidazo[1,2-c]quinazolin-5-ylidene)pyrimidine-5-carboxamide

2-amino-N-(7,8-dimethoxy-2,3-dihydro-1H-imidazo[1,2-c]quinazolin-5-ylidene)pyrimidine-5-carboxamide (PubChem CID 138718755) has the molecular formula C17H17N7O3 and a molecular weight of 367.37 g/mol. Its IUPAC name is 2-amino-N-(7,8-dimethoxy-2,3-dihydro-1H-imidazo[1,2-c]quinazolin-5-ylidene)pyrimidine-5-carboxamide.

Molecular Properties

Compound Name2-amino-N-(7,8-dimethoxy-2,3-dihydro-1H-imidazo[1,2-c]quinazolin-5-ylidene)pyrimidine-5-carboxamide
PubChem CID138718755
Molecular FormulaC17H17N7O3
Molecular Weight367.37 g/mol
Exact Mass367.14
IUPAC Name2-amino-N-(7,8-dimethoxy-2,3-dihydro-1H-imidazo[1,2-c]quinazolin-5-ylidene)pyrimidine-5-carboxamide
SMILESCOc1ccc2c3n(/c(=N/C(=O)c4cnc(N)nc4)nc2c1OC)CCN3
InChIInChI=1S/C17H17N7O3/c1-26-11-4-3-10-12(13(11)27-2)22-17(24-6-5-19-14(10)24)23-15(25)9-7-20-16(18)21-8-9/h3-4,7-8,19H,5-6H2,1-2H3,(H2,18,20,21)/b23-17+
InChIKeyQKJAOVJHUHVRSK-HAVVHWLPSA-N
XLogP0.59
TPSA129.54 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.37
LogP ≤ 50.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of 2-amino-N-(7,8-dimethoxy-2,3-dihydro-1H-imidazo[1,2-c]quinazolin-5-ylidene)pyrimidine-5-carboxamide?
The IUPAC name of 2-amino-N-(7,8-dimethoxy-2,3-dihydro-1H-imidazo[1,2-c]quinazolin-5-ylidene)pyrimidine-5-carboxamide (CID 138718755) is 2-amino-N-(7,8-dimethoxy-2,3-dihydro-1H-imidazo[1,2-c]quinazolin-5-ylidene)pyrimidine-5-carboxamide.
What is the SMILES notation for 2-amino-N-(7,8-dimethoxy-2,3-dihydro-1H-imidazo[1,2-c]quinazolin-5-ylidene)pyrimidine-5-carboxamide?
The canonical SMILES for 2-amino-N-(7,8-dimethoxy-2,3-dihydro-1H-imidazo[1,2-c]quinazolin-5-ylidene)pyrimidine-5-carboxamide is COc1ccc2c3n(/c(=N/C(=O)c4cnc(N)nc4)nc2c1OC)CCN3.
What is the InChIKey of 2-amino-N-(7,8-dimethoxy-2,3-dihydro-1H-imidazo[1,2-c]quinazolin-5-ylidene)pyrimidine-5-carboxamide?
The InChIKey is QKJAOVJHUHVRSK-HAVVHWLPSA-N. The full InChI is InChI=1S/C17H17N7O3/c1-26-11-4-3-10-12(13(11)27-2)22-17(24-6-5-19-14(10)24)23-15(25)9-7-20-16(18)21-8-9/h3-4,7-8,19H,5-6H2,1-2H3,(H2,18,20,21)/b23-17+.
What are the key properties of 2-amino-N-(7,8-dimethoxy-2,3-dihydro-1H-imidazo[1,2-c]quinazolin-5-ylidene)pyrimidine-5-carboxamide?
2-amino-N-(7,8-dimethoxy-2,3-dihydro-1H-imidazo[1,2-c]quinazolin-5-ylidene)pyrimidine-5-carboxamide has a molecular weight of 367.37 g/mol, XLogP of 0.59, 3 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-(7,8-dimethoxy-2,3-dihydro-1H-imidazo[1,2-c]quinazolin-5-ylidene)pyrimidine-5-carboxamide is sourced from PubChem (CID 138718755), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).