2-chloro-8-[(1R)-3,3-difluorocyclopentyl]-7-ethyl-5-methyl-6,7-dihydropteridine-6-carbaldehyde

C15H19ClF2N4O — CID 174623114

IUPAC2-chloro-8-[(1R)-3,3-difluorocyclopentyl]-7-ethyl-5-methyl-6,7-dihydropteridine-6-carbaldehyde
SMILESCCC1C(C=O)N(C)c2cnc(Cl)nc2N1[C@@H]1CCC(F)(F)C1
InChIInChI=1S/C15H19ClF2N4O/c1-3-10-12(8-23)21(2)11-7-19-14(16)20-13(11)22(10)9-4-5-15(17,18)6-9/h7-10,12H,3-6H2,1-2H3/t9-,10?,12?/m1/s1
InChIKeyKZQSJXXMSVMHEE-GRZMOONWSA-N
MW344.79 g/mol
LogP2.92
Rot. Bonds3

About 2-chloro-8-[(1R)-3,3-difluorocyclopentyl]-7-ethyl-5-methyl-6,7-dihydropteridine-6-carbaldehyde

2-chloro-8-[(1R)-3,3-difluorocyclopentyl]-7-ethyl-5-methyl-6,7-dihydropteridine-6-carbaldehyde (PubChem CID 174623114) has the molecular formula C15H19ClF2N4O and a molecular weight of 344.79 g/mol. Its IUPAC name is 2-chloro-8-[(1R)-3,3-difluorocyclopentyl]-7-ethyl-5-methyl-6,7-dihydropteridine-6-carbaldehyde.

Molecular Properties

Compound Name2-chloro-8-[(1R)-3,3-difluorocyclopentyl]-7-ethyl-5-methyl-6,7-dihydropteridine-6-carbaldehyde
PubChem CID174623114
Molecular FormulaC15H19ClF2N4O
Molecular Weight344.79 g/mol
Exact Mass344.12
IUPAC Name2-chloro-8-[(1R)-3,3-difluorocyclopentyl]-7-ethyl-5-methyl-6,7-dihydropteridine-6-carbaldehyde
SMILESCCC1C(C=O)N(C)c2cnc(Cl)nc2N1[C@@H]1CCC(F)(F)C1
InChIInChI=1S/C15H19ClF2N4O/c1-3-10-12(8-23)21(2)11-7-19-14(16)20-13(11)22(10)9-4-5-15(17,18)6-9/h7-10,12H,3-6H2,1-2H3/t9-,10?,12?/m1/s1
InChIKeyKZQSJXXMSVMHEE-GRZMOONWSA-N
XLogP2.92
TPSA49.33 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.79
LogP ≤ 52.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Related Compounds

(7r)-8-Cyclopentyl-7-Ethyl-5-Methyl-7,8-Dihydropteridin-6(5h)-One
CID 71739407
(R)-2-Chloro-7-ethyl-8-isopropyl-5-methyl-6-oxo-5,6,7,8-tetrahydropyrimido[4,5-b]pyrazine
CID 58405561
(R)-2-Chloro-8-cyclopentyl-7-ethyl-5-methyl-7,8-dihydropteridin-6(5H)-one
CID 24820413
(7R)-2-Chloro-8-(3,3-difluorocyclopentyl)-7-ethyl-7,8-dihydro-5-methyl-6(5H)-pteridinone
CID 58405409
(7R)-2-chloro-8-(3,3-difluorocyclobutyl)-7-ethyl-5-methyl-7H-pteridin-6-one
CID 58405452
(7R)-2-chloro-7-ethyl-5-methyl-8-(3,3,3-trifluoropropyl)-7H-pteridin-6-one
CID 58405517
(R)-2-Chloro-7-ethyl-8-(3-fluorocyclobutyl)-5-methyl-7,8-dihydropteridin-6(5H)-one
CID 58405575
2-Chloro-7-ethyl-5,7-dimethyl-8-(3,3,3-trifluoropropyl)pteridin-6-one
CID 58405688
2-chloro-7-ethyl-5-methyl-8-(3,3,3-trifluoropropyl)-7H-pteridin-6-one
CID 58405903
2-chloro-5-methyl-7-(2,2,2-trifluoroethyl)-8-(3,3,3-trifluoropropyl)-7H-pteridin-6-one
CID 58405906
2-chloro-5-methyl-8-propan-2-yl-7-(2,2,2-trifluoroethyl)-7H-pteridin-6-one
CID 58415723
(7R)-2-chloro-8-[(1R)-3,3-difluorocyclopentyl]-7-ethyl-5-methanimidoyl-7H-pteridin-6-imine
CID 58484967

Frequently Asked Questions

What is the IUPAC name of 2-chloro-8-[(1R)-3,3-difluorocyclopentyl]-7-ethyl-5-methyl-6,7-dihydropteridine-6-carbaldehyde?
The IUPAC name of 2-chloro-8-[(1R)-3,3-difluorocyclopentyl]-7-ethyl-5-methyl-6,7-dihydropteridine-6-carbaldehyde (CID 174623114) is 2-chloro-8-[(1R)-3,3-difluorocyclopentyl]-7-ethyl-5-methyl-6,7-dihydropteridine-6-carbaldehyde.
What is the SMILES notation for 2-chloro-8-[(1R)-3,3-difluorocyclopentyl]-7-ethyl-5-methyl-6,7-dihydropteridine-6-carbaldehyde?
The canonical SMILES for 2-chloro-8-[(1R)-3,3-difluorocyclopentyl]-7-ethyl-5-methyl-6,7-dihydropteridine-6-carbaldehyde is CCC1C(C=O)N(C)c2cnc(Cl)nc2N1[C@@H]1CCC(F)(F)C1.
What is the InChIKey of 2-chloro-8-[(1R)-3,3-difluorocyclopentyl]-7-ethyl-5-methyl-6,7-dihydropteridine-6-carbaldehyde?
The InChIKey is KZQSJXXMSVMHEE-GRZMOONWSA-N. The full InChI is InChI=1S/C15H19ClF2N4O/c1-3-10-12(8-23)21(2)11-7-19-14(16)20-13(11)22(10)9-4-5-15(17,18)6-9/h7-10,12H,3-6H2,1-2H3/t9-,10?,12?/m1/s1.
What are the key properties of 2-chloro-8-[(1R)-3,3-difluorocyclopentyl]-7-ethyl-5-methyl-6,7-dihydropteridine-6-carbaldehyde?
2-chloro-8-[(1R)-3,3-difluorocyclopentyl]-7-ethyl-5-methyl-6,7-dihydropteridine-6-carbaldehyde has a molecular weight of 344.79 g/mol, XLogP of 2.92, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-8-[(1R)-3,3-difluorocyclopentyl]-7-ethyl-5-methyl-6,7-dihydropteridine-6-carbaldehyde is sourced from PubChem (CID 174623114), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).