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

C16H21ClN4O — CID 174565816

IUPAC(7R)-2-chloro-8-cyclopentyl-7-cyclopropyl-5-methyl-6,7-dihydropteridine-6-carbaldehyde
SMILESCN1c2cnc(Cl)nc2N(C2CCCC2)[C@H](C2CC2)C1C=O
InChIInChI=1S/C16H21ClN4O/c1-20-12-8-18-16(17)19-15(12)21(11-4-2-3-5-11)14(10-6-7-10)13(20)9-22/h8-11,13-14H,2-7H2,1H3/t13?,14-/m1/s1
InChIKeyLWEULTRHRUGVKU-ARLHGKGLSA-N
MW320.82 g/mol
LogP2.67
Rot. Bonds3

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

(7R)-2-chloro-8-cyclopentyl-7-cyclopropyl-5-methyl-6,7-dihydropteridine-6-carbaldehyde (PubChem CID 174565816) has the molecular formula C16H21ClN4O and a molecular weight of 320.82 g/mol. Its IUPAC name is (7R)-2-chloro-8-cyclopentyl-7-cyclopropyl-5-methyl-6,7-dihydropteridine-6-carbaldehyde.

Molecular Properties

Compound Name(7R)-2-chloro-8-cyclopentyl-7-cyclopropyl-5-methyl-6,7-dihydropteridine-6-carbaldehyde
PubChem CID174565816
Molecular FormulaC16H21ClN4O
Molecular Weight320.82 g/mol
Exact Mass320.14
IUPAC Name(7R)-2-chloro-8-cyclopentyl-7-cyclopropyl-5-methyl-6,7-dihydropteridine-6-carbaldehyde
SMILESCN1c2cnc(Cl)nc2N(C2CCCC2)[C@H](C2CC2)C1C=O
InChIInChI=1S/C16H21ClN4O/c1-20-12-8-18-16(17)19-15(12)21(11-4-2-3-5-11)14(10-6-7-10)13(20)9-22/h8-11,13-14H,2-7H2,1H3/t13?,14-/m1/s1
InChIKeyLWEULTRHRUGVKU-ARLHGKGLSA-N
XLogP2.67
TPSA49.33 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.82
LogP ≤ 52.67
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

2-chloro-8-[(1R)-3,3-difluorocyclopentyl]-7-ethyl-5-methyl-6,7-dihydropteridine-6-carbaldehyde
CID 174623114
2-chloro-8-cyclopentyl-5,7-dimethyl-6-methylidene-7H-pteridine
CID 123734885
(7R)-2-chloro-8-cyclopentyl-7-ethyl-5-methyl-6,7-dihydropteridine
CID 59765793
(7R)-8-cyclopentyl-7-ethyl-2-(4-imino-1-pyridinyl)-5-methyl-6,7-dihydropteridine-6-carbaldehyde
CID 175277070
8-cyclobutyl-7-ethyl-2-imidazol-1-yl-5-methyl-6,7-dihydropteridine-6-carbaldehyde
CID 175275366
(6R)-3-chloro-5-cyclopentyl-6-ethyl-6H-imidazo[1,5-f]pteridine
CID 59286705
2-chloro-8-cyclopentyl-7-ethyl-5-methanimidoyl-7H-pteridin-6-imine
CID 123177102
(7R)-2-chloro-7-ethyl-5-methyl-8-(oxan-4-yl)-7H-pteridin-6-one
CID 58405475
7-chloro-1-cyclopentyl-2-ethyl-4-methylpyrimido[5,4-e][1,2,4]triazin-3-one
CID 25241864
8-cyclopentyl-7-ethyl-2-[1-[1-(2-hydroxyethyl)piperidin-4-yl]ethylamino]-5-methyl-6,7-dihydropteridine-6-carbaldehyde
CID 174613449
3-chloro-5-cyclopentyl-6-ethyl-6H-imidazo[1,5-f]pteridine-7-carbonitrile
CID 87501006
2-chloro-7-cyclopentyl-N,N-dimethyl-5,6-dihydropyrrolo[2,3-d]pyrimidine-6-carboxamide
CID 129292962

Frequently Asked Questions

What is the IUPAC name of (7R)-2-chloro-8-cyclopentyl-7-cyclopropyl-5-methyl-6,7-dihydropteridine-6-carbaldehyde?
The IUPAC name of (7R)-2-chloro-8-cyclopentyl-7-cyclopropyl-5-methyl-6,7-dihydropteridine-6-carbaldehyde (CID 174565816) is (7R)-2-chloro-8-cyclopentyl-7-cyclopropyl-5-methyl-6,7-dihydropteridine-6-carbaldehyde.
What is the SMILES notation for (7R)-2-chloro-8-cyclopentyl-7-cyclopropyl-5-methyl-6,7-dihydropteridine-6-carbaldehyde?
The canonical SMILES for (7R)-2-chloro-8-cyclopentyl-7-cyclopropyl-5-methyl-6,7-dihydropteridine-6-carbaldehyde is CN1c2cnc(Cl)nc2N(C2CCCC2)[C@H](C2CC2)C1C=O.
What is the InChIKey of (7R)-2-chloro-8-cyclopentyl-7-cyclopropyl-5-methyl-6,7-dihydropteridine-6-carbaldehyde?
The InChIKey is LWEULTRHRUGVKU-ARLHGKGLSA-N. The full InChI is InChI=1S/C16H21ClN4O/c1-20-12-8-18-16(17)19-15(12)21(11-4-2-3-5-11)14(10-6-7-10)13(20)9-22/h8-11,13-14H,2-7H2,1H3/t13?,14-/m1/s1.
What are the key properties of (7R)-2-chloro-8-cyclopentyl-7-cyclopropyl-5-methyl-6,7-dihydropteridine-6-carbaldehyde?
(7R)-2-chloro-8-cyclopentyl-7-cyclopropyl-5-methyl-6,7-dihydropteridine-6-carbaldehyde has a molecular weight of 320.82 g/mol, XLogP of 2.67, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (7R)-2-chloro-8-cyclopentyl-7-cyclopropyl-5-methyl-6,7-dihydropteridine-6-carbaldehyde is sourced from PubChem (CID 174565816), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).