8-benzyl-2-chloro-4-methyl-6,7-dihydro-5H-pteridine

C14H15ClN4 — CID 131842858

IUPAC8-benzyl-2-chloro-4-methyl-6,7-dihydro-5H-pteridine
SMILESCc1nc(Cl)nc2c1NCCN2Cc1ccccc1
InChIInChI=1S/C14H15ClN4/c1-10-12-13(18-14(15)17-10)19(8-7-16-12)9-11-5-3-2-4-6-11/h2-6,16H,7-9H2,1H3
InChIKeyTZEKMUWTUKGJKW-UHFFFAOYSA-N
MW274.75 g/mol
LogP2.87
Rot. Bonds2

About 8-benzyl-2-chloro-4-methyl-6,7-dihydro-5H-pteridine

8-benzyl-2-chloro-4-methyl-6,7-dihydro-5H-pteridine (PubChem CID 131842858) has the molecular formula C14H15ClN4 and a molecular weight of 274.75 g/mol. Its IUPAC name is 8-benzyl-2-chloro-4-methyl-6,7-dihydro-5H-pteridine.

Molecular Properties

Compound Name8-benzyl-2-chloro-4-methyl-6,7-dihydro-5H-pteridine
PubChem CID131842858
Molecular FormulaC14H15ClN4
Molecular Weight274.75 g/mol
Exact Mass274.10
IUPAC Name8-benzyl-2-chloro-4-methyl-6,7-dihydro-5H-pteridine
SMILESCc1nc(Cl)nc2c1NCCN2Cc1ccccc1
InChIInChI=1S/C14H15ClN4/c1-10-12-13(18-14(15)17-10)19(8-7-16-12)9-11-5-3-2-4-6-11/h2-6,16H,7-9H2,1H3
InChIKeyTZEKMUWTUKGJKW-UHFFFAOYSA-N
XLogP2.87
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.75
LogP ≤ 52.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(4-benzylpiperazin-1-yl)-4,6-dichloro-1,3,5-triazine
CID 60726999
7-benzyl-2,6,9-trimethyl-8H-purine
CID 20662935
2,4-dichloro-7-(2-phenylethyl)-5,6-dihydropyrrolo[2,3-d]pyrimidine
CID 170724844
(3S)-4-benzyl-3-methylpiperazin-2-one
CID 129362839
4-[(4-methylphenyl)methyl]-2,3-dihydro-1H-quinoxaline
CID 60811841
2-chloro-8-[[4-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]phenyl]methyl]-6,7-dihydro-5H-pteridine
CID 170707534
1-benzyl-7-phenyl-3,4-dihydro-2H-pyrido[2,3-b]pyrazine
CID 141188188
1-benzyl-4-(3-methyl-2-pyridinyl)piperazine
CID 130558033
azane;1-benzylpiperazine
CID 174866973
2-chloro-8-methyl-6,7-dihydro-5H-pteridine
CID 55252657
1-benzyl-5-methyl-2,3-dihydropyrrole-4-carbaldehyde
CID 11557490
1-benzyl-8-(2H-pyrazolo[3,4-b]pyridin-3-yl)-3,4-dihydro-2H-pyrido[2,3-e][1,4]diazepin-5-one
CID 170745714

Frequently Asked Questions

What is the IUPAC name of 8-benzyl-2-chloro-4-methyl-6,7-dihydro-5H-pteridine?
The IUPAC name of 8-benzyl-2-chloro-4-methyl-6,7-dihydro-5H-pteridine (CID 131842858) is 8-benzyl-2-chloro-4-methyl-6,7-dihydro-5H-pteridine.
What is the SMILES notation for 8-benzyl-2-chloro-4-methyl-6,7-dihydro-5H-pteridine?
The canonical SMILES for 8-benzyl-2-chloro-4-methyl-6,7-dihydro-5H-pteridine is Cc1nc(Cl)nc2c1NCCN2Cc1ccccc1.
What is the InChIKey of 8-benzyl-2-chloro-4-methyl-6,7-dihydro-5H-pteridine?
The InChIKey is TZEKMUWTUKGJKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15ClN4/c1-10-12-13(18-14(15)17-10)19(8-7-16-12)9-11-5-3-2-4-6-11/h2-6,16H,7-9H2,1H3.
What are the key properties of 8-benzyl-2-chloro-4-methyl-6,7-dihydro-5H-pteridine?
8-benzyl-2-chloro-4-methyl-6,7-dihydro-5H-pteridine has a molecular weight of 274.75 g/mol, XLogP of 2.87, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 8-benzyl-2-chloro-4-methyl-6,7-dihydro-5H-pteridine is sourced from PubChem (CID 131842858), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).