2-chloro-8-cyclopentyl-5,7-dimethyl-6-methylidene-7H-pteridine

C14H19ClN4 — CID 123734885

IUPAC2-chloro-8-cyclopentyl-5,7-dimethyl-6-methylidene-7H-pteridine
SMILESC=C1C(C)N(C2CCCC2)c2nc(Cl)ncc2N1C
InChIInChI=1S/C14H19ClN4/c1-9-10(2)19(11-6-4-5-7-11)13-12(18(9)3)8-16-14(15)17-13/h8,10-11H,1,4-7H2,2-3H3
InChIKeySJQJMTLXNIWUKD-UHFFFAOYSA-N
MW278.79 g/mol
LogP3.23
Rot. Bonds1

About 2-chloro-8-cyclopentyl-5,7-dimethyl-6-methylidene-7H-pteridine

2-chloro-8-cyclopentyl-5,7-dimethyl-6-methylidene-7H-pteridine (PubChem CID 123734885) has the molecular formula C14H19ClN4 and a molecular weight of 278.79 g/mol. Its IUPAC name is 2-chloro-8-cyclopentyl-5,7-dimethyl-6-methylidene-7H-pteridine.

Molecular Properties

Compound Name2-chloro-8-cyclopentyl-5,7-dimethyl-6-methylidene-7H-pteridine
PubChem CID123734885
Molecular FormulaC14H19ClN4
Molecular Weight278.79 g/mol
Exact Mass278.13
IUPAC Name2-chloro-8-cyclopentyl-5,7-dimethyl-6-methylidene-7H-pteridine
SMILESC=C1C(C)N(C2CCCC2)c2nc(Cl)ncc2N1C
InChIInChI=1S/C14H19ClN4/c1-9-10(2)19(11-6-4-5-7-11)13-12(18(9)3)8-16-14(15)17-13/h8,10-11H,1,4-7H2,2-3H3
InChIKeySJQJMTLXNIWUKD-UHFFFAOYSA-N
XLogP3.23
TPSA32.26 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.79
LogP ≤ 53.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-8-cyclopentyl-5,7-dimethyl-6-methylidene-7H-pteridine?
The IUPAC name of 2-chloro-8-cyclopentyl-5,7-dimethyl-6-methylidene-7H-pteridine (CID 123734885) is 2-chloro-8-cyclopentyl-5,7-dimethyl-6-methylidene-7H-pteridine.
What is the SMILES notation for 2-chloro-8-cyclopentyl-5,7-dimethyl-6-methylidene-7H-pteridine?
The canonical SMILES for 2-chloro-8-cyclopentyl-5,7-dimethyl-6-methylidene-7H-pteridine is C=C1C(C)N(C2CCCC2)c2nc(Cl)ncc2N1C.
What is the InChIKey of 2-chloro-8-cyclopentyl-5,7-dimethyl-6-methylidene-7H-pteridine?
The InChIKey is SJQJMTLXNIWUKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19ClN4/c1-9-10(2)19(11-6-4-5-7-11)13-12(18(9)3)8-16-14(15)17-13/h8,10-11H,1,4-7H2,2-3H3.
What are the key properties of 2-chloro-8-cyclopentyl-5,7-dimethyl-6-methylidene-7H-pteridine?
2-chloro-8-cyclopentyl-5,7-dimethyl-6-methylidene-7H-pteridine has a molecular weight of 278.79 g/mol, XLogP of 3.23, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-8-cyclopentyl-5,7-dimethyl-6-methylidene-7H-pteridine is sourced from PubChem (CID 123734885), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).