2-[4,6-dimethyl-2-(4-propan-2-ylcyclohexyl)pyrimidin-5-yl]acetic acid

C17H26N2O2 — CID 65425365

IUPAC2-[4,6-dimethyl-2-(4-propan-2-ylcyclohexyl)pyrimidin-5-yl]acetic acid
SMILESCc1nc(C2CCC(C(C)C)CC2)nc(C)c1CC(=O)O
InChIInChI=1S/C17H26N2O2/c1-10(2)13-5-7-14(8-6-13)17-18-11(3)15(9-16(20)21)12(4)19-17/h10,13-14H,5-9H2,1-4H3,(H,20,21)
InChIKeyJJNFOBWDVGBRAN-UHFFFAOYSA-N
MW290.41 g/mol
LogP3.65
Rot. Bonds4

About 2-[4,6-dimethyl-2-(4-propan-2-ylcyclohexyl)pyrimidin-5-yl]acetic acid

2-[4,6-dimethyl-2-(4-propan-2-ylcyclohexyl)pyrimidin-5-yl]acetic acid (PubChem CID 65425365) has the molecular formula C17H26N2O2 and a molecular weight of 290.41 g/mol. Its IUPAC name is 2-[4,6-dimethyl-2-(4-propan-2-ylcyclohexyl)pyrimidin-5-yl]acetic acid.

Molecular Properties

Compound Name2-[4,6-dimethyl-2-(4-propan-2-ylcyclohexyl)pyrimidin-5-yl]acetic acid
PubChem CID65425365
Molecular FormulaC17H26N2O2
Molecular Weight290.41 g/mol
Exact Mass290.20
IUPAC Name2-[4,6-dimethyl-2-(4-propan-2-ylcyclohexyl)pyrimidin-5-yl]acetic acid
SMILESCc1nc(C2CCC(C(C)C)CC2)nc(C)c1CC(=O)O
InChIInChI=1S/C17H26N2O2/c1-10(2)13-5-7-14(8-6-13)17-18-11(3)15(9-16(20)21)12(4)19-17/h10,13-14H,5-9H2,1-4H3,(H,20,21)
InChIKeyJJNFOBWDVGBRAN-UHFFFAOYSA-N
XLogP3.65
TPSA63.08 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.41
LogP ≤ 53.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[4,6-dimethyl-2-(4-propan-2-ylcyclohexyl)pyrimidin-5-yl]acetic acid?
The IUPAC name of 2-[4,6-dimethyl-2-(4-propan-2-ylcyclohexyl)pyrimidin-5-yl]acetic acid (CID 65425365) is 2-[4,6-dimethyl-2-(4-propan-2-ylcyclohexyl)pyrimidin-5-yl]acetic acid.
What is the SMILES notation for 2-[4,6-dimethyl-2-(4-propan-2-ylcyclohexyl)pyrimidin-5-yl]acetic acid?
The canonical SMILES for 2-[4,6-dimethyl-2-(4-propan-2-ylcyclohexyl)pyrimidin-5-yl]acetic acid is Cc1nc(C2CCC(C(C)C)CC2)nc(C)c1CC(=O)O.
What is the InChIKey of 2-[4,6-dimethyl-2-(4-propan-2-ylcyclohexyl)pyrimidin-5-yl]acetic acid?
The InChIKey is JJNFOBWDVGBRAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2O2/c1-10(2)13-5-7-14(8-6-13)17-18-11(3)15(9-16(20)21)12(4)19-17/h10,13-14H,5-9H2,1-4H3,(H,20,21).
What are the key properties of 2-[4,6-dimethyl-2-(4-propan-2-ylcyclohexyl)pyrimidin-5-yl]acetic acid?
2-[4,6-dimethyl-2-(4-propan-2-ylcyclohexyl)pyrimidin-5-yl]acetic acid has a molecular weight of 290.41 g/mol, XLogP of 3.65, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4,6-dimethyl-2-(4-propan-2-ylcyclohexyl)pyrimidin-5-yl]acetic acid is sourced from PubChem (CID 65425365), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).