(7R)-2-chloro-8-(cyclopropylmethyl)-7-ethyl-5-methyl-7H-pteridin-6-one

C13H17ClN4O — CID 58405336

IUPAC(7R)-2-chloro-8-(cyclopropylmethyl)-7-ethyl-5-methyl-7H-pteridin-6-one
SMILESCC[C@@H]1C(=O)N(C)c2cnc(Cl)nc2N1CC1CC1
InChIInChI=1S/C13H17ClN4O/c1-3-9-12(19)17(2)10-6-15-13(14)16-11(10)18(9)7-8-4-5-8/h6,8-9H,3-5,7H2,1-2H3/t9-/m1/s1
InChIKeyPQJZOZXULJSUNX-SECBINFHSA-N
MW280.76 g/mol
LogP2.10
Rot. Bonds3

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

(7R)-2-chloro-8-(cyclopropylmethyl)-7-ethyl-5-methyl-7H-pteridin-6-one (PubChem CID 58405336) has the molecular formula C13H17ClN4O and a molecular weight of 280.76 g/mol. Its IUPAC name is (7R)-2-chloro-8-(cyclopropylmethyl)-7-ethyl-5-methyl-7H-pteridin-6-one.

Molecular Properties

Compound Name(7R)-2-chloro-8-(cyclopropylmethyl)-7-ethyl-5-methyl-7H-pteridin-6-one
PubChem CID58405336
Molecular FormulaC13H17ClN4O
Molecular Weight280.76 g/mol
Exact Mass280.11
IUPAC Name(7R)-2-chloro-8-(cyclopropylmethyl)-7-ethyl-5-methyl-7H-pteridin-6-one
SMILESCC[C@@H]1C(=O)N(C)c2cnc(Cl)nc2N1CC1CC1
InChIInChI=1S/C13H17ClN4O/c1-3-9-12(19)17(2)10-6-15-13(14)16-11(10)18(9)7-8-4-5-8/h6,8-9H,3-5,7H2,1-2H3/t9-/m1/s1
InChIKeyPQJZOZXULJSUNX-SECBINFHSA-N
XLogP2.10
TPSA49.33 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.76
LogP ≤ 52.10
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-(cyclopropylmethyl)-7-ethyl-5-methyl-7H-pteridin-6-one?
The IUPAC name of (7R)-2-chloro-8-(cyclopropylmethyl)-7-ethyl-5-methyl-7H-pteridin-6-one (CID 58405336) is (7R)-2-chloro-8-(cyclopropylmethyl)-7-ethyl-5-methyl-7H-pteridin-6-one.
What is the SMILES notation for (7R)-2-chloro-8-(cyclopropylmethyl)-7-ethyl-5-methyl-7H-pteridin-6-one?
The canonical SMILES for (7R)-2-chloro-8-(cyclopropylmethyl)-7-ethyl-5-methyl-7H-pteridin-6-one is CC[C@@H]1C(=O)N(C)c2cnc(Cl)nc2N1CC1CC1.
What is the InChIKey of (7R)-2-chloro-8-(cyclopropylmethyl)-7-ethyl-5-methyl-7H-pteridin-6-one?
The InChIKey is PQJZOZXULJSUNX-SECBINFHSA-N. The full InChI is InChI=1S/C13H17ClN4O/c1-3-9-12(19)17(2)10-6-15-13(14)16-11(10)18(9)7-8-4-5-8/h6,8-9H,3-5,7H2,1-2H3/t9-/m1/s1.
What are the key properties of (7R)-2-chloro-8-(cyclopropylmethyl)-7-ethyl-5-methyl-7H-pteridin-6-one?
(7R)-2-chloro-8-(cyclopropylmethyl)-7-ethyl-5-methyl-7H-pteridin-6-one has a molecular weight of 280.76 g/mol, XLogP of 2.10, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (7R)-2-chloro-8-(cyclopropylmethyl)-7-ethyl-5-methyl-7H-pteridin-6-one is sourced from PubChem (CID 58405336), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).