(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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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).