(7R)-8-cyclopentyl-7-ethyl-2-(4-imino-1-pyridinyl)-5-methyl-6,7-dihydropteridine-6-carbaldehyde

C20H26N6O — CID 175277070

IUPAC(7R)-8-cyclopentyl-7-ethyl-2-(4-imino-1-pyridinyl)-5-methyl-6,7-dihydropteridine-6-carbaldehyde
SMILES[H]N=c1ccn(-c2ncc3c(n2)N(C2CCCC2)[C@H](CC)C(C=O)N3C)cc1
InChIInChI=1S/C20H26N6O/c1-3-16-18(13-27)24(2)17-12-22-20(25-10-8-14(21)9-11-25)23-19(17)26(16)15-6-4-5-7-15/h8-13,15-16,18,21H,3-7H2,1-2H3/t16-,18?/m1/s1
InChIKeyVASFGJDROGXYTO-PYUWXLGESA-N
MW366.47 g/mol
LogP2.29
Rot. Bonds4

About (7R)-8-cyclopentyl-7-ethyl-2-(4-imino-1-pyridinyl)-5-methyl-6,7-dihydropteridine-6-carbaldehyde

(7R)-8-cyclopentyl-7-ethyl-2-(4-imino-1-pyridinyl)-5-methyl-6,7-dihydropteridine-6-carbaldehyde (PubChem CID 175277070) has the molecular formula C20H26N6O and a molecular weight of 366.47 g/mol. Its IUPAC name is (7R)-8-cyclopentyl-7-ethyl-2-(4-imino-1-pyridinyl)-5-methyl-6,7-dihydropteridine-6-carbaldehyde.

Molecular Properties

Compound Name(7R)-8-cyclopentyl-7-ethyl-2-(4-imino-1-pyridinyl)-5-methyl-6,7-dihydropteridine-6-carbaldehyde
PubChem CID175277070
Molecular FormulaC20H26N6O
Molecular Weight366.47 g/mol
Exact Mass366.22
IUPAC Name(7R)-8-cyclopentyl-7-ethyl-2-(4-imino-1-pyridinyl)-5-methyl-6,7-dihydropteridine-6-carbaldehyde
SMILES[H]N=c1ccn(-c2ncc3c(n2)N(C2CCCC2)[C@H](CC)C(C=O)N3C)cc1
InChIInChI=1S/C20H26N6O/c1-3-16-18(13-27)24(2)17-12-22-20(25-10-8-14(21)9-11-25)23-19(17)26(16)15-6-4-5-7-15/h8-13,15-16,18,21H,3-7H2,1-2H3/t16-,18?/m1/s1
InChIKeyVASFGJDROGXYTO-PYUWXLGESA-N
XLogP2.29
TPSA78.11 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.47
LogP ≤ 52.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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)-8-cyclopentyl-7-ethyl-2-(4-imino-1-pyridinyl)-5-methyl-6,7-dihydropteridine-6-carbaldehyde?
The IUPAC name of (7R)-8-cyclopentyl-7-ethyl-2-(4-imino-1-pyridinyl)-5-methyl-6,7-dihydropteridine-6-carbaldehyde (CID 175277070) is (7R)-8-cyclopentyl-7-ethyl-2-(4-imino-1-pyridinyl)-5-methyl-6,7-dihydropteridine-6-carbaldehyde.
What is the SMILES notation for (7R)-8-cyclopentyl-7-ethyl-2-(4-imino-1-pyridinyl)-5-methyl-6,7-dihydropteridine-6-carbaldehyde?
The canonical SMILES for (7R)-8-cyclopentyl-7-ethyl-2-(4-imino-1-pyridinyl)-5-methyl-6,7-dihydropteridine-6-carbaldehyde is [H]N=c1ccn(-c2ncc3c(n2)N(C2CCCC2)[C@H](CC)C(C=O)N3C)cc1.
What is the InChIKey of (7R)-8-cyclopentyl-7-ethyl-2-(4-imino-1-pyridinyl)-5-methyl-6,7-dihydropteridine-6-carbaldehyde?
The InChIKey is VASFGJDROGXYTO-PYUWXLGESA-N. The full InChI is InChI=1S/C20H26N6O/c1-3-16-18(13-27)24(2)17-12-22-20(25-10-8-14(21)9-11-25)23-19(17)26(16)15-6-4-5-7-15/h8-13,15-16,18,21H,3-7H2,1-2H3/t16-,18?/m1/s1.
What are the key properties of (7R)-8-cyclopentyl-7-ethyl-2-(4-imino-1-pyridinyl)-5-methyl-6,7-dihydropteridine-6-carbaldehyde?
(7R)-8-cyclopentyl-7-ethyl-2-(4-imino-1-pyridinyl)-5-methyl-6,7-dihydropteridine-6-carbaldehyde has a molecular weight of 366.47 g/mol, XLogP of 2.29, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (7R)-8-cyclopentyl-7-ethyl-2-(4-imino-1-pyridinyl)-5-methyl-6,7-dihydropteridine-6-carbaldehyde is sourced from PubChem (CID 175277070), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).