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

C17H24N4O2 — CID 118586320

IUPAC6-amino-3-(4-tert-butylcyclohexyl)-1H-pyrido[2,3-d]pyrimidine-2,4-dione
SMILESCC(C)(C)C1CCC(n2c(=O)[nH]c3ncc(N)cc3c2=O)CC1
InChIInChI=1S/C17H24N4O2/c1-17(2,3)10-4-6-12(7-5-10)21-15(22)13-8-11(18)9-19-14(13)20-16(21)23/h8-10,12H,4-7,18H2,1-3H3,(H,19,20,23)
InChIKeyZDSLENITTZGXGK-UHFFFAOYSA-N
MW316.41 g/mol
LogP2.44
Rot. Bonds1

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

6-amino-3-(4-tert-butylcyclohexyl)-1H-pyrido[2,3-d]pyrimidine-2,4-dione (PubChem CID 118586320) has the molecular formula C17H24N4O2 and a molecular weight of 316.41 g/mol. Its IUPAC name is 6-amino-3-(4-tert-butylcyclohexyl)-1H-pyrido[2,3-d]pyrimidine-2,4-dione.

Molecular Properties

Compound Name6-amino-3-(4-tert-butylcyclohexyl)-1H-pyrido[2,3-d]pyrimidine-2,4-dione
PubChem CID118586320
Molecular FormulaC17H24N4O2
Molecular Weight316.41 g/mol
Exact Mass316.19
IUPAC Name6-amino-3-(4-tert-butylcyclohexyl)-1H-pyrido[2,3-d]pyrimidine-2,4-dione
SMILESCC(C)(C)C1CCC(n2c(=O)[nH]c3ncc(N)cc3c2=O)CC1
InChIInChI=1S/C17H24N4O2/c1-17(2,3)10-4-6-12(7-5-10)21-15(22)13-8-11(18)9-19-14(13)20-16(21)23/h8-10,12H,4-7,18H2,1-3H3,(H,19,20,23)
InChIKeyZDSLENITTZGXGK-UHFFFAOYSA-N
XLogP2.44
TPSA93.77 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.41
LogP ≤ 52.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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

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Related Compounds

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CID 470753
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Frequently Asked Questions

What is the IUPAC name of 6-amino-3-(4-tert-butylcyclohexyl)-1H-pyrido[2,3-d]pyrimidine-2,4-dione?
The IUPAC name of 6-amino-3-(4-tert-butylcyclohexyl)-1H-pyrido[2,3-d]pyrimidine-2,4-dione (CID 118586320) is 6-amino-3-(4-tert-butylcyclohexyl)-1H-pyrido[2,3-d]pyrimidine-2,4-dione.
What is the SMILES notation for 6-amino-3-(4-tert-butylcyclohexyl)-1H-pyrido[2,3-d]pyrimidine-2,4-dione?
The canonical SMILES for 6-amino-3-(4-tert-butylcyclohexyl)-1H-pyrido[2,3-d]pyrimidine-2,4-dione is CC(C)(C)C1CCC(n2c(=O)[nH]c3ncc(N)cc3c2=O)CC1.
What is the InChIKey of 6-amino-3-(4-tert-butylcyclohexyl)-1H-pyrido[2,3-d]pyrimidine-2,4-dione?
The InChIKey is ZDSLENITTZGXGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N4O2/c1-17(2,3)10-4-6-12(7-5-10)21-15(22)13-8-11(18)9-19-14(13)20-16(21)23/h8-10,12H,4-7,18H2,1-3H3,(H,19,20,23).
What are the key properties of 6-amino-3-(4-tert-butylcyclohexyl)-1H-pyrido[2,3-d]pyrimidine-2,4-dione?
6-amino-3-(4-tert-butylcyclohexyl)-1H-pyrido[2,3-d]pyrimidine-2,4-dione has a molecular weight of 316.41 g/mol, XLogP of 2.44, 1 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-amino-3-(4-tert-butylcyclohexyl)-1H-pyrido[2,3-d]pyrimidine-2,4-dione is sourced from PubChem (CID 118586320), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).