(7R)-8-cyclopentyl-7-ethyl-6-imino-5-methanimidoyl-7H-pteridin-2-amine

C14H21N7 — CID 143563235

IUPAC(7R)-8-cyclopentyl-7-ethyl-6-imino-5-methanimidoyl-7H-pteridin-2-amine
SMILES[H]/N=C/N1/C(=N/[H])[C@@H](CC)N(C2CCCC2)c2nc(N)ncc21
InChIInChI=1S/C14H21N7/c1-2-10-12(16)20(8-15)11-7-18-14(17)19-13(11)21(10)9-5-3-4-6-9/h7-10,15-16H,2-6H2,1H3,(H2,17,18,19)/b15-8+,16-12+/t10-/m1/s1
InChIKeyZEHXMSHOPONXIT-UGFYYEECSA-N
MW287.37 g/mol
LogP1.99
Rot. Bonds3

About (7R)-8-cyclopentyl-7-ethyl-6-imino-5-methanimidoyl-7H-pteridin-2-amine

(7R)-8-cyclopentyl-7-ethyl-6-imino-5-methanimidoyl-7H-pteridin-2-amine (PubChem CID 143563235) has the molecular formula C14H21N7 and a molecular weight of 287.37 g/mol. Its IUPAC name is (7R)-8-cyclopentyl-7-ethyl-6-imino-5-methanimidoyl-7H-pteridin-2-amine.

Molecular Properties

Compound Name(7R)-8-cyclopentyl-7-ethyl-6-imino-5-methanimidoyl-7H-pteridin-2-amine
PubChem CID143563235
Molecular FormulaC14H21N7
Molecular Weight287.37 g/mol
Exact Mass287.19
IUPAC Name(7R)-8-cyclopentyl-7-ethyl-6-imino-5-methanimidoyl-7H-pteridin-2-amine
SMILES[H]/N=C/N1/C(=N/[H])[C@@H](CC)N(C2CCCC2)c2nc(N)ncc21
InChIInChI=1S/C14H21N7/c1-2-10-12(16)20(8-15)11-7-18-14(17)19-13(11)21(10)9-5-3-4-6-9/h7-10,15-16H,2-6H2,1H3,(H2,17,18,19)/b15-8+,16-12+/t10-/m1/s1
InChIKeyZEHXMSHOPONXIT-UGFYYEECSA-N
XLogP1.99
TPSA105.98 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.37
LogP ≤ 51.99
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

2-chloro-8-cyclopentyl-7-ethyl-5-methanimidoyl-7H-pteridin-6-imine
CID 123177102
(7R)-8-cyclopentyl-N-[4-(difluoromethoxy)phenyl]-7-ethyl-6-imino-5-methanimidoyl-7H-pteridin-2-amine
CID 162554429
5-cyclopentyl-6-ethyl-6H-imidazo[1,5-f]pteridin-3-amine
CID 77151093
5-cyclobutyl-4-ethyl-4H-[1,2,4]triazolo[4,3-f]pteridin-7-amine
CID 141194019
7-ethyl-2-[2-(4-fluorophenyl)imidazol-1-yl]-5-methanimidoyl-8-(oxetan-3-yl)-7H-pteridin-6-imine
CID 123556404
(6R)-3-chloro-5-cyclopentyl-6-ethyl-6H-imidazo[1,5-f]pteridine
CID 59286705
methyl N-[(4R)-5-cyclopentyl-4-ethyl-4H-[1,2,4]triazolo[4,3-f]pteridin-7-yl]carbamate
CID 24890789
N,5-dicyclopentyl-4-ethyl-4H-[1,2,4]triazolo[4,3-f]pteridin-7-amine
CID 66672557
4-(2-ethylpiperidin-1-yl)-5-fluoropyrimidin-2-amine
CID 80773841
4-(5-cyclopentyl-4-ethyl-4H-[1,2,4]triazolo[4,3-f]pteridin-7-yl)pyridin-3-amine
CID 66979234
3-chloro-5-cyclopentyl-6-ethyl-6H-imidazo[1,5-f]pteridine-7-carbonitrile
CID 87501006
8-cyclopentyl-7-ethyl-5-methyl-2-[[(3E,5Z)-octa-1,3,5-trien-3-yl]amino]-7H-pteridin-6-one
CID 171081682

Frequently Asked Questions

What is the IUPAC name of (7R)-8-cyclopentyl-7-ethyl-6-imino-5-methanimidoyl-7H-pteridin-2-amine?
The IUPAC name of (7R)-8-cyclopentyl-7-ethyl-6-imino-5-methanimidoyl-7H-pteridin-2-amine (CID 143563235) is (7R)-8-cyclopentyl-7-ethyl-6-imino-5-methanimidoyl-7H-pteridin-2-amine.
What is the SMILES notation for (7R)-8-cyclopentyl-7-ethyl-6-imino-5-methanimidoyl-7H-pteridin-2-amine?
The canonical SMILES for (7R)-8-cyclopentyl-7-ethyl-6-imino-5-methanimidoyl-7H-pteridin-2-amine is [H]/N=C/N1/C(=N/[H])[C@@H](CC)N(C2CCCC2)c2nc(N)ncc21.
What is the InChIKey of (7R)-8-cyclopentyl-7-ethyl-6-imino-5-methanimidoyl-7H-pteridin-2-amine?
The InChIKey is ZEHXMSHOPONXIT-UGFYYEECSA-N. The full InChI is InChI=1S/C14H21N7/c1-2-10-12(16)20(8-15)11-7-18-14(17)19-13(11)21(10)9-5-3-4-6-9/h7-10,15-16H,2-6H2,1H3,(H2,17,18,19)/b15-8+,16-12+/t10-/m1/s1.
What are the key properties of (7R)-8-cyclopentyl-7-ethyl-6-imino-5-methanimidoyl-7H-pteridin-2-amine?
(7R)-8-cyclopentyl-7-ethyl-6-imino-5-methanimidoyl-7H-pteridin-2-amine has a molecular weight of 287.37 g/mol, XLogP of 1.99, 3 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (7R)-8-cyclopentyl-7-ethyl-6-imino-5-methanimidoyl-7H-pteridin-2-amine is sourced from PubChem (CID 143563235), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).