2,4-dichloro-N,N-dimethyl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine-7-carboxamide

C10H12Cl2N4O — CID 146405493

IUPAC2,4-dichloro-N,N-dimethyl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine-7-carboxamide
SMILESCN(C)C(=O)N1CCc2c(Cl)nc(Cl)nc2C1
InChIInChI=1S/C10H12Cl2N4O/c1-15(2)10(17)16-4-3-6-7(5-16)13-9(12)14-8(6)11/h3-5H2,1-2H3
InChIKeyVMDCCGJBUBUWLU-UHFFFAOYSA-N
MW275.14 g/mol
LogP1.82
Rot. Bonds

About 2,4-dichloro-N,N-dimethyl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine-7-carboxamide

2,4-dichloro-N,N-dimethyl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine-7-carboxamide (PubChem CID 146405493) has the molecular formula C10H12Cl2N4O and a molecular weight of 275.14 g/mol. Its IUPAC name is 2,4-dichloro-N,N-dimethyl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine-7-carboxamide.

Molecular Properties

Compound Name2,4-dichloro-N,N-dimethyl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine-7-carboxamide
PubChem CID146405493
Molecular FormulaC10H12Cl2N4O
Molecular Weight275.14 g/mol
Exact Mass274.04
IUPAC Name2,4-dichloro-N,N-dimethyl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine-7-carboxamide
SMILESCN(C)C(=O)N1CCc2c(Cl)nc(Cl)nc2C1
InChIInChI=1S/C10H12Cl2N4O/c1-15(2)10(17)16-4-3-6-7(5-16)13-9(12)14-8(6)11/h3-5H2,1-2H3
InChIKeyVMDCCGJBUBUWLU-UHFFFAOYSA-N
XLogP1.82
TPSA49.33 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.14
LogP ≤ 51.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-chloroethyl 2,4-dichloro-5,7-dihydropyrrolo[3,4-d]pyrimidine-6-carboxylate
CID 58812787
[(1R)-1-chloroethyl] 2,4-dichloro-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-6-carboxylate
CID 86336226
2,4-dichloro-7-ethyl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine
CID 105490423
tert-butyl 2-chloro-4-(dimethylamino)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine-7-carboxylate
CID 172595039
4-chloro-2-phenyl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine-7-carboxylic acid
CID 174166624
tert-butyl 2,4-dichloro-5,7-dihydropyrrolo[3,4-d]pyrimidine-6-carboxylate;propane
CID 166476563
tert-butyl 4-chloro-2-(trifluoromethyl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine-7-carboxylate
CID 71742291
CID 59369476
CID 59369476
tert-butyl 4-[(3-amino-3-oxopropyl)-methylamino]-2-chloro-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine-7-carboxylate
CID 164925330
N,N,2-trimethyl-4-piperidin-1-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-6-carboxamide
CID 42786611
tert-butyl 4-chloro-2-phenyl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine-7-carboxylate
CID 169130090
N,N-dimethyl-7,8-dihydro-5H-1,6-naphthyridine-6-carboxamide
CID 175128670

Frequently Asked Questions

What is the IUPAC name of 2,4-dichloro-N,N-dimethyl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine-7-carboxamide?
The IUPAC name of 2,4-dichloro-N,N-dimethyl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine-7-carboxamide (CID 146405493) is 2,4-dichloro-N,N-dimethyl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine-7-carboxamide.
What is the SMILES notation for 2,4-dichloro-N,N-dimethyl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine-7-carboxamide?
The canonical SMILES for 2,4-dichloro-N,N-dimethyl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine-7-carboxamide is CN(C)C(=O)N1CCc2c(Cl)nc(Cl)nc2C1.
What is the InChIKey of 2,4-dichloro-N,N-dimethyl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine-7-carboxamide?
The InChIKey is VMDCCGJBUBUWLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12Cl2N4O/c1-15(2)10(17)16-4-3-6-7(5-16)13-9(12)14-8(6)11/h3-5H2,1-2H3.
What are the key properties of 2,4-dichloro-N,N-dimethyl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine-7-carboxamide?
2,4-dichloro-N,N-dimethyl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine-7-carboxamide has a molecular weight of 275.14 g/mol, XLogP of 1.82, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dichloro-N,N-dimethyl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine-7-carboxamide is sourced from PubChem (CID 146405493), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).