(7R)-2-chloro-8-cyclopentyl-7-ethyl-5-methyl-6,7-dihydropteridine

C14H21ClN4 — CID 59765793

IUPAC(7R)-2-chloro-8-cyclopentyl-7-ethyl-5-methyl-6,7-dihydropteridine
SMILESCC[C@@H]1CN(C)c2cnc(Cl)nc2N1C1CCCC1
InChIInChI=1S/C14H21ClN4/c1-3-10-9-18(2)12-8-16-14(15)17-13(12)19(10)11-6-4-5-7-11/h8,10-11H,3-7,9H2,1-2H3/t10-/m1/s1
InChIKeyRRSQYQYUILNUCI-SNVBAGLBSA-N
MW280.80 g/mol
LogP3.11
Rot. Bonds2

About (7R)-2-chloro-8-cyclopentyl-7-ethyl-5-methyl-6,7-dihydropteridine

(7R)-2-chloro-8-cyclopentyl-7-ethyl-5-methyl-6,7-dihydropteridine (PubChem CID 59765793) has the molecular formula C14H21ClN4 and a molecular weight of 280.80 g/mol. Its IUPAC name is (7R)-2-chloro-8-cyclopentyl-7-ethyl-5-methyl-6,7-dihydropteridine.

Molecular Properties

Compound Name(7R)-2-chloro-8-cyclopentyl-7-ethyl-5-methyl-6,7-dihydropteridine
PubChem CID59765793
Molecular FormulaC14H21ClN4
Molecular Weight280.80 g/mol
Exact Mass280.15
IUPAC Name(7R)-2-chloro-8-cyclopentyl-7-ethyl-5-methyl-6,7-dihydropteridine
SMILESCC[C@@H]1CN(C)c2cnc(Cl)nc2N1C1CCCC1
InChIInChI=1S/C14H21ClN4/c1-3-10-9-18(2)12-8-16-14(15)17-13(12)19(10)11-6-4-5-7-11/h8,10-11H,3-7,9H2,1-2H3/t10-/m1/s1
InChIKeyRRSQYQYUILNUCI-SNVBAGLBSA-N
XLogP3.11
TPSA32.26 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.80
LogP ≤ 53.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (7R)-2-chloro-8-cyclopentyl-7-ethyl-5-methyl-6,7-dihydropteridine?
The IUPAC name of (7R)-2-chloro-8-cyclopentyl-7-ethyl-5-methyl-6,7-dihydropteridine (CID 59765793) is (7R)-2-chloro-8-cyclopentyl-7-ethyl-5-methyl-6,7-dihydropteridine.
What is the SMILES notation for (7R)-2-chloro-8-cyclopentyl-7-ethyl-5-methyl-6,7-dihydropteridine?
The canonical SMILES for (7R)-2-chloro-8-cyclopentyl-7-ethyl-5-methyl-6,7-dihydropteridine is CC[C@@H]1CN(C)c2cnc(Cl)nc2N1C1CCCC1.
What is the InChIKey of (7R)-2-chloro-8-cyclopentyl-7-ethyl-5-methyl-6,7-dihydropteridine?
The InChIKey is RRSQYQYUILNUCI-SNVBAGLBSA-N. The full InChI is InChI=1S/C14H21ClN4/c1-3-10-9-18(2)12-8-16-14(15)17-13(12)19(10)11-6-4-5-7-11/h8,10-11H,3-7,9H2,1-2H3/t10-/m1/s1.
What are the key properties of (7R)-2-chloro-8-cyclopentyl-7-ethyl-5-methyl-6,7-dihydropteridine?
(7R)-2-chloro-8-cyclopentyl-7-ethyl-5-methyl-6,7-dihydropteridine has a molecular weight of 280.80 g/mol, XLogP of 3.11, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (7R)-2-chloro-8-cyclopentyl-7-ethyl-5-methyl-6,7-dihydropteridine is sourced from PubChem (CID 59765793), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).