2-chloro-6a-ethyl-5-methyl-7,8,9,10-tetrahydro-6H-pyrido[2,1-h]pteridine

C13H19ClN4 — CID 141302803

IUPAC2-chloro-6a-ethyl-5-methyl-7,8,9,10-tetrahydro-6H-pyrido[2,1-h]pteridine
SMILESCCC12CCCCN1c1nc(Cl)ncc1N(C)C2
InChIInChI=1S/C13H19ClN4/c1-3-13-6-4-5-7-18(13)11-10(17(2)9-13)8-15-12(14)16-11/h8H,3-7,9H2,1-2H3
InChIKeySAHVWGZVDRZSES-UHFFFAOYSA-N
MW266.78 g/mol
LogP2.72
Rot. Bonds1

About 2-chloro-6a-ethyl-5-methyl-7,8,9,10-tetrahydro-6H-pyrido[2,1-h]pteridine

2-chloro-6a-ethyl-5-methyl-7,8,9,10-tetrahydro-6H-pyrido[2,1-h]pteridine (PubChem CID 141302803) has the molecular formula C13H19ClN4 and a molecular weight of 266.78 g/mol. Its IUPAC name is 2-chloro-6a-ethyl-5-methyl-7,8,9,10-tetrahydro-6H-pyrido[2,1-h]pteridine.

Molecular Properties

Compound Name2-chloro-6a-ethyl-5-methyl-7,8,9,10-tetrahydro-6H-pyrido[2,1-h]pteridine
PubChem CID141302803
Molecular FormulaC13H19ClN4
Molecular Weight266.78 g/mol
Exact Mass266.13
IUPAC Name2-chloro-6a-ethyl-5-methyl-7,8,9,10-tetrahydro-6H-pyrido[2,1-h]pteridine
SMILESCCC12CCCCN1c1nc(Cl)ncc1N(C)C2
InChIInChI=1S/C13H19ClN4/c1-3-13-6-4-5-7-18(13)11-10(17(2)9-13)8-15-12(14)16-11/h8H,3-7,9H2,1-2H3
InChIKeySAHVWGZVDRZSES-UHFFFAOYSA-N
XLogP2.72
TPSA32.26 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.78
LogP ≤ 52.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-chloro-6a-ethyl-5-methyl-8,9,10,11-tetrahydro-7H-azepino[2,1-h]pteridin-6-one;methane
CID 158651053
2-chloro-7-ethyl-5-methyl-8-(1-methylpyrazol-4-yl)-6,7-dihydropteridine
CID 141302825
(7R)-2-chloro-8-cyclopentyl-7-ethyl-5-methyl-6,7-dihydropteridine
CID 59765793
2-chloro-4-(3,3-diethylpyrrolidin-1-yl)pyrimidin-5-amine
CID 114043901
2-chloro-9-cyclopentyl-7-ethyl-7-fluoro-5-methyl-8H-pyrimido[4,5-b][1,4]diazepin-6-one
CID 58214903
2,5-dichloro-4-(3,3-dimethylpiperidin-1-yl)pyrimidine
CID 79632418
2-chloro-8-methyl-5-(2,2,2-trifluoroethyl)spiro[6H-pteridine-7,1'-cyclobutane]-6-ol
CID 123520023
2-chloro-6a-methyl-5,7,8,9-tetrahydropyrrolo[2,1-h]pteridin-6-one
CID 123520942
2-chloro-5-methylspiro[7H-purino[9,8-a]imidazole-8,4'-thiane] 1',1'-dioxide
CID 167163650
2-chloro-8-methyl-6,7-dihydro-5H-pteridine
CID 55252657
(6aS)-2-chloro-6a-(1,1,2,2,2-pentadeuterioethyl)-5,7,8,9-tetrahydropyrimido[4,5-e]indolizin-6-one
CID 58405752
2-chloro-7-methyl-9-[(3R)-oxan-3-yl]-8H-purine
CID 135151358

Frequently Asked Questions

What is the IUPAC name of 2-chloro-6a-ethyl-5-methyl-7,8,9,10-tetrahydro-6H-pyrido[2,1-h]pteridine?
The IUPAC name of 2-chloro-6a-ethyl-5-methyl-7,8,9,10-tetrahydro-6H-pyrido[2,1-h]pteridine (CID 141302803) is 2-chloro-6a-ethyl-5-methyl-7,8,9,10-tetrahydro-6H-pyrido[2,1-h]pteridine.
What is the SMILES notation for 2-chloro-6a-ethyl-5-methyl-7,8,9,10-tetrahydro-6H-pyrido[2,1-h]pteridine?
The canonical SMILES for 2-chloro-6a-ethyl-5-methyl-7,8,9,10-tetrahydro-6H-pyrido[2,1-h]pteridine is CCC12CCCCN1c1nc(Cl)ncc1N(C)C2.
What is the InChIKey of 2-chloro-6a-ethyl-5-methyl-7,8,9,10-tetrahydro-6H-pyrido[2,1-h]pteridine?
The InChIKey is SAHVWGZVDRZSES-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19ClN4/c1-3-13-6-4-5-7-18(13)11-10(17(2)9-13)8-15-12(14)16-11/h8H,3-7,9H2,1-2H3.
What are the key properties of 2-chloro-6a-ethyl-5-methyl-7,8,9,10-tetrahydro-6H-pyrido[2,1-h]pteridine?
2-chloro-6a-ethyl-5-methyl-7,8,9,10-tetrahydro-6H-pyrido[2,1-h]pteridine has a molecular weight of 266.78 g/mol, XLogP of 2.72, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-6a-ethyl-5-methyl-7,8,9,10-tetrahydro-6H-pyrido[2,1-h]pteridine is sourced from PubChem (CID 141302803), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).