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

C12H17ClN4O — CID 58405561

IUPAC(7R)-2-chloro-7-ethyl-5-methyl-8-propan-2-yl-7H-pteridin-6-one
SMILESCC[C@@H]1C(=O)N(C)c2cnc(Cl)nc2N1C(C)C
InChIInChI=1S/C12H17ClN4O/c1-5-8-11(18)16(4)9-6-14-12(13)15-10(9)17(8)7(2)3/h6-8H,5H2,1-4H3/t8-/m1/s1
InChIKeyRKXHCGYXHHPYHQ-MRVPVSSYSA-N
MW268.75 g/mol
LogP2.10
Rot. Bonds2

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

(7R)-2-chloro-7-ethyl-5-methyl-8-propan-2-yl-7H-pteridin-6-one (PubChem CID 58405561) has the molecular formula C12H17ClN4O and a molecular weight of 268.75 g/mol. Its IUPAC name is (7R)-2-chloro-7-ethyl-5-methyl-8-propan-2-yl-7H-pteridin-6-one.

Molecular Properties

Compound Name(7R)-2-chloro-7-ethyl-5-methyl-8-propan-2-yl-7H-pteridin-6-one
PubChem CID58405561
Molecular FormulaC12H17ClN4O
Molecular Weight268.75 g/mol
Exact Mass268.11
IUPAC Name(7R)-2-chloro-7-ethyl-5-methyl-8-propan-2-yl-7H-pteridin-6-one
SMILESCC[C@@H]1C(=O)N(C)c2cnc(Cl)nc2N1C(C)C
InChIInChI=1S/C12H17ClN4O/c1-5-8-11(18)16(4)9-6-14-12(13)15-10(9)17(8)7(2)3/h6-8H,5H2,1-4H3/t8-/m1/s1
InChIKeyRKXHCGYXHHPYHQ-MRVPVSSYSA-N
XLogP2.10
TPSA49.33 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.75
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-7-ethyl-5-methyl-8-propan-2-yl-7H-pteridin-6-one?
The IUPAC name of (7R)-2-chloro-7-ethyl-5-methyl-8-propan-2-yl-7H-pteridin-6-one (CID 58405561) is (7R)-2-chloro-7-ethyl-5-methyl-8-propan-2-yl-7H-pteridin-6-one.
What is the SMILES notation for (7R)-2-chloro-7-ethyl-5-methyl-8-propan-2-yl-7H-pteridin-6-one?
The canonical SMILES for (7R)-2-chloro-7-ethyl-5-methyl-8-propan-2-yl-7H-pteridin-6-one is CC[C@@H]1C(=O)N(C)c2cnc(Cl)nc2N1C(C)C.
What is the InChIKey of (7R)-2-chloro-7-ethyl-5-methyl-8-propan-2-yl-7H-pteridin-6-one?
The InChIKey is RKXHCGYXHHPYHQ-MRVPVSSYSA-N. The full InChI is InChI=1S/C12H17ClN4O/c1-5-8-11(18)16(4)9-6-14-12(13)15-10(9)17(8)7(2)3/h6-8H,5H2,1-4H3/t8-/m1/s1.
What are the key properties of (7R)-2-chloro-7-ethyl-5-methyl-8-propan-2-yl-7H-pteridin-6-one?
(7R)-2-chloro-7-ethyl-5-methyl-8-propan-2-yl-7H-pteridin-6-one has a molecular weight of 268.75 g/mol, XLogP of 2.10, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (7R)-2-chloro-7-ethyl-5-methyl-8-propan-2-yl-7H-pteridin-6-one is sourced from PubChem (CID 58405561), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).