(7R)-2-chloro-7-ethyl-5-methyl-8-(oxan-4-yl)-7H-pteridin-6-one

C14H19ClN4O2 — CID 58405475

IUPAC(7R)-2-chloro-7-ethyl-5-methyl-8-(oxan-4-yl)-7H-pteridin-6-one
SMILESCC[C@@H]1C(=O)N(C)c2cnc(Cl)nc2N1C1CCOCC1
InChIInChI=1S/C14H19ClN4O2/c1-3-10-13(20)18(2)11-8-16-14(15)17-12(11)19(10)9-4-6-21-7-5-9/h8-10H,3-7H2,1-2H3/t10-/m1/s1
InChIKeyMVABWVJHCYTPAT-SNVBAGLBSA-N
MW310.79 g/mol
LogP1.87
Rot. Bonds2

About (7R)-2-chloro-7-ethyl-5-methyl-8-(oxan-4-yl)-7H-pteridin-6-one

(7R)-2-chloro-7-ethyl-5-methyl-8-(oxan-4-yl)-7H-pteridin-6-one (PubChem CID 58405475) has the molecular formula C14H19ClN4O2 and a molecular weight of 310.79 g/mol. Its IUPAC name is (7R)-2-chloro-7-ethyl-5-methyl-8-(oxan-4-yl)-7H-pteridin-6-one.

Molecular Properties

Compound Name(7R)-2-chloro-7-ethyl-5-methyl-8-(oxan-4-yl)-7H-pteridin-6-one
PubChem CID58405475
Molecular FormulaC14H19ClN4O2
Molecular Weight310.79 g/mol
Exact Mass310.12
IUPAC Name(7R)-2-chloro-7-ethyl-5-methyl-8-(oxan-4-yl)-7H-pteridin-6-one
SMILESCC[C@@H]1C(=O)N(C)c2cnc(Cl)nc2N1C1CCOCC1
InChIInChI=1S/C14H19ClN4O2/c1-3-10-13(20)18(2)11-8-16-14(15)17-12(11)19(10)9-4-6-21-7-5-9/h8-10H,3-7H2,1-2H3/t10-/m1/s1
InChIKeyMVABWVJHCYTPAT-SNVBAGLBSA-N
XLogP1.87
TPSA58.56 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.79
LogP ≤ 51.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

(7R)-2-chloro-7-ethyl-5-methyl-8-[(3R)-oxolan-3-yl]-7H-pteridin-6-one
CID 71603101
(7R)-2-chloro-7-ethyl-5-methyl-8-[1-(2-methylpropyl)piperidin-4-yl]-7H-pteridin-6-one
CID 174674584
(7R)-2-chloro-7-ethyl-8-(oxan-4-yl)-5,7-dihydropyrido[2,3-d]pyrimidin-6-one
CID 58405314
7-chloro-4-ethyl-1-methyl-5-(oxan-4-yl)-4H-[1,2,4]triazolo[4,3-f]pteridine
CID 87223314
(7R)-2-chloro-8-(cyclopropylmethyl)-7-ethyl-5-methyl-7H-pteridin-6-one
CID 58405336
7-ethyl-5-methyl-8-(oxan-4-yl)-2-(2-pyridin-4-ylimidazol-1-yl)-7H-pteridin-6-one
CID 67261650
(7R)-2-chloro-8-cyclopentyl-7-ethyl-5-methyl-7H-pteridin-6-one;(7R)-8-cyclopentyl-7-ethyl-5-methyl-2-(1H-pyrazol-4-yl)-7H-pteridin-6-one;1H-pyrazol-4-ylboronic acid
CID 159415558
(4R)-7-chloro-4-ethyl-5-(oxolan-3-yl)-4H-[1,2,4]triazolo[4,3-f]pteridine
CID 87423187
2-chloro-7-ethyl-5-methyl-8-phenyl-7H-pteridin-6-one
CID 58405293
(7R)-8-cyclopentyl-7-ethyl-5-methyl-2-(4-methylanilino)-7H-pteridin-6-one
CID 171081916
(7R)-8-cyclopentyl-7-ethyl-5-methyl-2-(1,3-thiazol-5-yl)-7H-pteridin-6-one
CID 58405599
8-cyclobutyl-7-ethyl-2-imidazol-1-yl-5-methyl-7H-pteridin-6-one
CID 67261461

Frequently Asked Questions

What is the IUPAC name of (7R)-2-chloro-7-ethyl-5-methyl-8-(oxan-4-yl)-7H-pteridin-6-one?
The IUPAC name of (7R)-2-chloro-7-ethyl-5-methyl-8-(oxan-4-yl)-7H-pteridin-6-one (CID 58405475) is (7R)-2-chloro-7-ethyl-5-methyl-8-(oxan-4-yl)-7H-pteridin-6-one.
What is the SMILES notation for (7R)-2-chloro-7-ethyl-5-methyl-8-(oxan-4-yl)-7H-pteridin-6-one?
The canonical SMILES for (7R)-2-chloro-7-ethyl-5-methyl-8-(oxan-4-yl)-7H-pteridin-6-one is CC[C@@H]1C(=O)N(C)c2cnc(Cl)nc2N1C1CCOCC1.
What is the InChIKey of (7R)-2-chloro-7-ethyl-5-methyl-8-(oxan-4-yl)-7H-pteridin-6-one?
The InChIKey is MVABWVJHCYTPAT-SNVBAGLBSA-N. The full InChI is InChI=1S/C14H19ClN4O2/c1-3-10-13(20)18(2)11-8-16-14(15)17-12(11)19(10)9-4-6-21-7-5-9/h8-10H,3-7H2,1-2H3/t10-/m1/s1.
What are the key properties of (7R)-2-chloro-7-ethyl-5-methyl-8-(oxan-4-yl)-7H-pteridin-6-one?
(7R)-2-chloro-7-ethyl-5-methyl-8-(oxan-4-yl)-7H-pteridin-6-one has a molecular weight of 310.79 g/mol, XLogP of 1.87, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (7R)-2-chloro-7-ethyl-5-methyl-8-(oxan-4-yl)-7H-pteridin-6-one is sourced from PubChem (CID 58405475), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).