6-amino-3-(4-ethylcyclohexyl)-1H-pyrido[2,3-d]pyrimidine-2,4-dione

C15H20N4O2 — CID 118586321

IUPAC6-amino-3-(4-ethylcyclohexyl)-1H-pyrido[2,3-d]pyrimidine-2,4-dione
SMILESCCC1CCC(n2c(=O)[nH]c3ncc(N)cc3c2=O)CC1
InChIInChI=1S/C15H20N4O2/c1-2-9-3-5-11(6-4-9)19-14(20)12-7-10(16)8-17-13(12)18-15(19)21/h7-9,11H,2-6,16H2,1H3,(H,17,18,21)
InChIKeyRUIBOTJWFKGLEJ-UHFFFAOYSA-N
MW288.35 g/mol
LogP1.81
Rot. Bonds2

About 6-amino-3-(4-ethylcyclohexyl)-1H-pyrido[2,3-d]pyrimidine-2,4-dione

6-amino-3-(4-ethylcyclohexyl)-1H-pyrido[2,3-d]pyrimidine-2,4-dione (PubChem CID 118586321) has the molecular formula C15H20N4O2 and a molecular weight of 288.35 g/mol. Its IUPAC name is 6-amino-3-(4-ethylcyclohexyl)-1H-pyrido[2,3-d]pyrimidine-2,4-dione.

Molecular Properties

Compound Name6-amino-3-(4-ethylcyclohexyl)-1H-pyrido[2,3-d]pyrimidine-2,4-dione
PubChem CID118586321
Molecular FormulaC15H20N4O2
Molecular Weight288.35 g/mol
Exact Mass288.16
IUPAC Name6-amino-3-(4-ethylcyclohexyl)-1H-pyrido[2,3-d]pyrimidine-2,4-dione
SMILESCCC1CCC(n2c(=O)[nH]c3ncc(N)cc3c2=O)CC1
InChIInChI=1S/C15H20N4O2/c1-2-9-3-5-11(6-4-9)19-14(20)12-7-10(16)8-17-13(12)18-15(19)21/h7-9,11H,2-6,16H2,1H3,(H,17,18,21)
InChIKeyRUIBOTJWFKGLEJ-UHFFFAOYSA-N
XLogP1.81
TPSA93.77 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.35
LogP ≤ 51.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 6-amino-3-(4-ethylcyclohexyl)-1H-pyrido[2,3-d]pyrimidine-2,4-dione with MolForge

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Related Compounds

11-(2-(2-((Diethylamino)methyl)-1-piperidinyl)acetyl)-5,11-dihydro-6H-pyrido(2,3-b)(1,4)benzodiazepin-6-one
CID 107867
Pirenzepine
CID 4848
Pirenzepine Hydrochloride
CID 71405
(2-((3-Methylbutyl)amino)-3-pyridinyl)(4-(phenylmethyl)-1-piperazinyl)methanone
CID 50922681
AQ-RA 741
CID 129989
Unii-O3pen5V8WL
CID 453331
7-(2,3-Dihydro-2-oxo-1H-imidazo[4,5-b]pyridin-1-yl)-2,3-dihydro-2,2-dimethyl-1-[(1R)-1-phenylethyl]-4(1H)-quinazolinone
CID 91933875
2,2-Dimethyl-7-(2-Oxidanylidene-3~{h}-Imidazo[4,5-B]pyridin-1-Yl)-1-(Phenylmethyl)-3~{h}-Quinazolin-4-One
CID 118409668
AF-DX-384
CID 119357
Propizepine
CID 112029
N11-Ethyl-5,11-dihydro-6H-dipyrido(3,2-b:2',3'-e)(1,4)diazepin-6-one
CID 453308
N11-Isopropyl-5,11-dihydro-6H-dipyrido(3,2-b:2',3'-e)(1,4)diazepin-6-one
CID 453313

Frequently Asked Questions

What is the IUPAC name of 6-amino-3-(4-ethylcyclohexyl)-1H-pyrido[2,3-d]pyrimidine-2,4-dione?
The IUPAC name of 6-amino-3-(4-ethylcyclohexyl)-1H-pyrido[2,3-d]pyrimidine-2,4-dione (CID 118586321) is 6-amino-3-(4-ethylcyclohexyl)-1H-pyrido[2,3-d]pyrimidine-2,4-dione.
What is the SMILES notation for 6-amino-3-(4-ethylcyclohexyl)-1H-pyrido[2,3-d]pyrimidine-2,4-dione?
The canonical SMILES for 6-amino-3-(4-ethylcyclohexyl)-1H-pyrido[2,3-d]pyrimidine-2,4-dione is CCC1CCC(n2c(=O)[nH]c3ncc(N)cc3c2=O)CC1.
What is the InChIKey of 6-amino-3-(4-ethylcyclohexyl)-1H-pyrido[2,3-d]pyrimidine-2,4-dione?
The InChIKey is RUIBOTJWFKGLEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N4O2/c1-2-9-3-5-11(6-4-9)19-14(20)12-7-10(16)8-17-13(12)18-15(19)21/h7-9,11H,2-6,16H2,1H3,(H,17,18,21).
What are the key properties of 6-amino-3-(4-ethylcyclohexyl)-1H-pyrido[2,3-d]pyrimidine-2,4-dione?
6-amino-3-(4-ethylcyclohexyl)-1H-pyrido[2,3-d]pyrimidine-2,4-dione has a molecular weight of 288.35 g/mol, XLogP of 1.81, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-amino-3-(4-ethylcyclohexyl)-1H-pyrido[2,3-d]pyrimidine-2,4-dione is sourced from PubChem (CID 118586321), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).