N-(4-chlorophenyl)-2-methoxy-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidin-4-amine

C13H13ClN4O — CID 117101502

IUPACN-(4-chlorophenyl)-2-methoxy-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidin-4-amine
SMILESCOc1nc2c(c(Nc3ccc(Cl)cc3)n1)CNC2
InChIInChI=1S/C13H13ClN4O/c1-19-13-17-11-7-15-6-10(11)12(18-13)16-9-4-2-8(14)3-5-9/h2-5,15H,6-7H2,1H3,(H,16,17,18)
InChIKeyMIQFAUKNJGWKSF-UHFFFAOYSA-N
MW276.73 g/mol
LogP2.49
Rot. Bonds3

About N-(4-chlorophenyl)-2-methoxy-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidin-4-amine

N-(4-chlorophenyl)-2-methoxy-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidin-4-amine (PubChem CID 117101502) has the molecular formula C13H13ClN4O and a molecular weight of 276.73 g/mol. Its IUPAC name is N-(4-chlorophenyl)-2-methoxy-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidin-4-amine.

Molecular Properties

Compound NameN-(4-chlorophenyl)-2-methoxy-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidin-4-amine
PubChem CID117101502
Molecular FormulaC13H13ClN4O
Molecular Weight276.73 g/mol
Exact Mass276.08
IUPAC NameN-(4-chlorophenyl)-2-methoxy-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidin-4-amine
SMILESCOc1nc2c(c(Nc3ccc(Cl)cc3)n1)CNC2
InChIInChI=1S/C13H13ClN4O/c1-19-13-17-11-7-15-6-10(11)12(18-13)16-9-4-2-8(14)3-5-9/h2-5,15H,6-7H2,1H3,(H,16,17,18)
InChIKeyMIQFAUKNJGWKSF-UHFFFAOYSA-N
XLogP2.49
TPSA59.07 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.73
LogP ≤ 52.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-methoxy-N-(4-methoxyphenyl)-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-amine
CID 117102045
2-methoxy-N-(3-methylphenyl)-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidin-4-amine
CID 117101522
2-methoxy-N-(4-methylphenyl)-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4-amine
CID 117101810
N-(2-fluorophenyl)-2-methoxy-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidin-4-amine
CID 117101524
N-(3-chlorophenyl)-2-methoxy-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4-amine
CID 117101814
2-[(2-methoxy-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidin-4-yl)amino]phenol
CID 117101530
N-(4-bromophenyl)-2-chloro-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidin-4-amine
CID 117101439
4-N-(4-chlorophenyl)-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidine-2,4-diamine
CID 117102157
4-N-(4-chlorophenyl)-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidine-2,4-diamine
CID 117101960
N-(4-chlorophenyl)-2-methylsulfanyl-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4-amine
CID 117101803
2-chloro-N-(3-chlorophenyl)-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidin-4-amine
CID 117101444
2-methoxy-N-(2-methoxyphenyl)-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-amine
CID 117102067

Frequently Asked Questions

What is the IUPAC name of N-(4-chlorophenyl)-2-methoxy-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidin-4-amine?
The IUPAC name of N-(4-chlorophenyl)-2-methoxy-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidin-4-amine (CID 117101502) is N-(4-chlorophenyl)-2-methoxy-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidin-4-amine.
What is the SMILES notation for N-(4-chlorophenyl)-2-methoxy-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidin-4-amine?
The canonical SMILES for N-(4-chlorophenyl)-2-methoxy-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidin-4-amine is COc1nc2c(c(Nc3ccc(Cl)cc3)n1)CNC2.
What is the InChIKey of N-(4-chlorophenyl)-2-methoxy-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidin-4-amine?
The InChIKey is MIQFAUKNJGWKSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13ClN4O/c1-19-13-17-11-7-15-6-10(11)12(18-13)16-9-4-2-8(14)3-5-9/h2-5,15H,6-7H2,1H3,(H,16,17,18).
What are the key properties of N-(4-chlorophenyl)-2-methoxy-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidin-4-amine?
N-(4-chlorophenyl)-2-methoxy-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidin-4-amine has a molecular weight of 276.73 g/mol, XLogP of 2.49, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chlorophenyl)-2-methoxy-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidin-4-amine is sourced from PubChem (CID 117101502), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).