5-amino-N-(4-tert-butylcyclohexyl)-4-methylidene-2-oxo-1H-pyrimidine-6-carboxamide

C16H26N4O2 — CID 118543317

IUPAC5-amino-N-(4-tert-butylcyclohexyl)-4-methylidene-2-oxo-1H-pyrimidine-6-carboxamide
SMILESC=C1NC(=O)NC(C(=O)NC2CCC(C(C)(C)C)CC2)=C1N
InChIInChI=1S/C16H26N4O2/c1-9-12(17)13(20-15(22)18-9)14(21)19-11-7-5-10(6-8-11)16(2,3)4/h10-11H,1,5-8,17H2,2-4H3,(H,19,21)(H2,18,20,22)
InChIKeyQBQRIOPDSFYCAW-UHFFFAOYSA-N
MW306.41 g/mol
LogP1.70
Rot. Bonds2

About 5-amino-N-(4-tert-butylcyclohexyl)-4-methylidene-2-oxo-1H-pyrimidine-6-carboxamide

5-amino-N-(4-tert-butylcyclohexyl)-4-methylidene-2-oxo-1H-pyrimidine-6-carboxamide (PubChem CID 118543317) has the molecular formula C16H26N4O2 and a molecular weight of 306.41 g/mol. Its IUPAC name is 5-amino-N-(4-tert-butylcyclohexyl)-4-methylidene-2-oxo-1H-pyrimidine-6-carboxamide.

Molecular Properties

Compound Name5-amino-N-(4-tert-butylcyclohexyl)-4-methylidene-2-oxo-1H-pyrimidine-6-carboxamide
PubChem CID118543317
Molecular FormulaC16H26N4O2
Molecular Weight306.41 g/mol
Exact Mass306.21
IUPAC Name5-amino-N-(4-tert-butylcyclohexyl)-4-methylidene-2-oxo-1H-pyrimidine-6-carboxamide
SMILESC=C1NC(=O)NC(C(=O)NC2CCC(C(C)(C)C)CC2)=C1N
InChIInChI=1S/C16H26N4O2/c1-9-12(17)13(20-15(22)18-9)14(21)19-11-7-5-10(6-8-11)16(2,3)4/h10-11H,1,5-8,17H2,2-4H3,(H,19,21)(H2,18,20,22)
InChIKeyQBQRIOPDSFYCAW-UHFFFAOYSA-N
XLogP1.70
TPSA96.25 Ų
H-Bond Donors4
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.41
LogP ≤ 51.70
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-amino-N-(4-tert-butylcyclohexyl)-4-methylidene-2-oxo-1H-pyrimidine-6-carboxamide?
The IUPAC name of 5-amino-N-(4-tert-butylcyclohexyl)-4-methylidene-2-oxo-1H-pyrimidine-6-carboxamide (CID 118543317) is 5-amino-N-(4-tert-butylcyclohexyl)-4-methylidene-2-oxo-1H-pyrimidine-6-carboxamide.
What is the SMILES notation for 5-amino-N-(4-tert-butylcyclohexyl)-4-methylidene-2-oxo-1H-pyrimidine-6-carboxamide?
The canonical SMILES for 5-amino-N-(4-tert-butylcyclohexyl)-4-methylidene-2-oxo-1H-pyrimidine-6-carboxamide is C=C1NC(=O)NC(C(=O)NC2CCC(C(C)(C)C)CC2)=C1N.
What is the InChIKey of 5-amino-N-(4-tert-butylcyclohexyl)-4-methylidene-2-oxo-1H-pyrimidine-6-carboxamide?
The InChIKey is QBQRIOPDSFYCAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N4O2/c1-9-12(17)13(20-15(22)18-9)14(21)19-11-7-5-10(6-8-11)16(2,3)4/h10-11H,1,5-8,17H2,2-4H3,(H,19,21)(H2,18,20,22).
What are the key properties of 5-amino-N-(4-tert-butylcyclohexyl)-4-methylidene-2-oxo-1H-pyrimidine-6-carboxamide?
5-amino-N-(4-tert-butylcyclohexyl)-4-methylidene-2-oxo-1H-pyrimidine-6-carboxamide has a molecular weight of 306.41 g/mol, XLogP of 1.70, 2 rotatable bonds, 4 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-N-(4-tert-butylcyclohexyl)-4-methylidene-2-oxo-1H-pyrimidine-6-carboxamide is sourced from PubChem (CID 118543317), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).