2-[(3-chlorophenyl)methyl]-4-ethyl-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidine

C15H16ClN3 — CID 114740703

IUPAC2-[(3-chlorophenyl)methyl]-4-ethyl-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidine
SMILESCCc1nc(Cc2cccc(Cl)c2)nc2c1CNC2
InChIInChI=1S/C15H16ClN3/c1-2-13-12-8-17-9-14(12)19-15(18-13)7-10-4-3-5-11(16)6-10/h3-6,17H,2,7-9H2,1H3
InChIKeyOLTQIIJSSHYUSN-UHFFFAOYSA-N
MW273.77 g/mol
LogP2.89
Rot. Bonds3

About 2-[(3-chlorophenyl)methyl]-4-ethyl-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidine

2-[(3-chlorophenyl)methyl]-4-ethyl-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidine (PubChem CID 114740703) has the molecular formula C15H16ClN3 and a molecular weight of 273.77 g/mol. Its IUPAC name is 2-[(3-chlorophenyl)methyl]-4-ethyl-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidine.

Molecular Properties

Compound Name2-[(3-chlorophenyl)methyl]-4-ethyl-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidine
PubChem CID114740703
Molecular FormulaC15H16ClN3
Molecular Weight273.77 g/mol
Exact Mass273.10
IUPAC Name2-[(3-chlorophenyl)methyl]-4-ethyl-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidine
SMILESCCc1nc(Cc2cccc(Cl)c2)nc2c1CNC2
InChIInChI=1S/C15H16ClN3/c1-2-13-12-8-17-9-14(12)19-15(18-13)7-10-4-3-5-11(16)6-10/h3-6,17H,2,7-9H2,1H3
InChIKeyOLTQIIJSSHYUSN-UHFFFAOYSA-N
XLogP2.89
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.77
LogP ≤ 52.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(3-chlorophenyl)sulfanylmethyl]-4-ethyl-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidine
CID 114740778
2-[(4-chlorophenyl)methyl]-4-ethyl-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidine
CID 114742421
2-[(3-chlorophenyl)methyl]-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidine-4-carboxylic acid
CID 114742936
2-[(3-fluorophenyl)methyl]-4-propyl-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidine
CID 114742588
2-[(3-chlorophenyl)methyl]-6-ethyl-5-iodopyrimidin-4-amine
CID 66298678
4,6-dichloro-2-[(3-chlorophenyl)methyl]-5-ethylpyrimidine
CID 63611300
2-(3,5-dichlorophenyl)-4-ethyl-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidine
CID 107918389
4-ethyl-2-propyl-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidine
CID 114740706
2-benzyl-4-propyl-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidine
CID 114742724
2-[(3-methoxyphenyl)methyl]-4-methyl-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidine
CID 114739988
2-[(4-methoxyphenyl)methyl]-4-propyl-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidine
CID 114741105
5-bromo-2-[(3-chlorophenyl)methyl]-6-propylpyrimidin-4-amine
CID 66306930

Frequently Asked Questions

What is the IUPAC name of 2-[(3-chlorophenyl)methyl]-4-ethyl-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidine?
The IUPAC name of 2-[(3-chlorophenyl)methyl]-4-ethyl-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidine (CID 114740703) is 2-[(3-chlorophenyl)methyl]-4-ethyl-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidine.
What is the SMILES notation for 2-[(3-chlorophenyl)methyl]-4-ethyl-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidine?
The canonical SMILES for 2-[(3-chlorophenyl)methyl]-4-ethyl-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidine is CCc1nc(Cc2cccc(Cl)c2)nc2c1CNC2.
What is the InChIKey of 2-[(3-chlorophenyl)methyl]-4-ethyl-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidine?
The InChIKey is OLTQIIJSSHYUSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16ClN3/c1-2-13-12-8-17-9-14(12)19-15(18-13)7-10-4-3-5-11(16)6-10/h3-6,17H,2,7-9H2,1H3.
What are the key properties of 2-[(3-chlorophenyl)methyl]-4-ethyl-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidine?
2-[(3-chlorophenyl)methyl]-4-ethyl-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidine has a molecular weight of 273.77 g/mol, XLogP of 2.89, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-chlorophenyl)methyl]-4-ethyl-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidine is sourced from PubChem (CID 114740703), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).