methyl 4-amino-6-methyl-2-(4-propylcyclohexyl)pyrimidine-5-carboxylate

C16H25N3O2 — CID 116647634

IUPACmethyl 4-amino-6-methyl-2-(4-propylcyclohexyl)pyrimidine-5-carboxylate
SMILESCCCC1CCC(c2nc(C)c(C(=O)OC)c(N)n2)CC1
InChIInChI=1S/C16H25N3O2/c1-4-5-11-6-8-12(9-7-11)15-18-10(2)13(14(17)19-15)16(20)21-3/h11-12H,4-9H2,1-3H3,(H2,17,18,19)
InChIKeyWQUQIGYJGXZECX-UHFFFAOYSA-N
MW291.39 g/mol
LogP3.23
Rot. Bonds4

About methyl 4-amino-6-methyl-2-(4-propylcyclohexyl)pyrimidine-5-carboxylate

methyl 4-amino-6-methyl-2-(4-propylcyclohexyl)pyrimidine-5-carboxylate (PubChem CID 116647634) has the molecular formula C16H25N3O2 and a molecular weight of 291.39 g/mol. Its IUPAC name is methyl 4-amino-6-methyl-2-(4-propylcyclohexyl)pyrimidine-5-carboxylate.

Molecular Properties

Compound Namemethyl 4-amino-6-methyl-2-(4-propylcyclohexyl)pyrimidine-5-carboxylate
PubChem CID116647634
Molecular FormulaC16H25N3O2
Molecular Weight291.39 g/mol
Exact Mass291.19
IUPAC Namemethyl 4-amino-6-methyl-2-(4-propylcyclohexyl)pyrimidine-5-carboxylate
SMILESCCCC1CCC(c2nc(C)c(C(=O)OC)c(N)n2)CC1
InChIInChI=1S/C16H25N3O2/c1-4-5-11-6-8-12(9-7-11)15-18-10(2)13(14(17)19-15)16(20)21-3/h11-12H,4-9H2,1-3H3,(H2,17,18,19)
InChIKeyWQUQIGYJGXZECX-UHFFFAOYSA-N
XLogP3.23
TPSA78.10 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.39
LogP ≤ 53.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of methyl 4-amino-6-methyl-2-(4-propylcyclohexyl)pyrimidine-5-carboxylate?
The IUPAC name of methyl 4-amino-6-methyl-2-(4-propylcyclohexyl)pyrimidine-5-carboxylate (CID 116647634) is methyl 4-amino-6-methyl-2-(4-propylcyclohexyl)pyrimidine-5-carboxylate.
What is the SMILES notation for methyl 4-amino-6-methyl-2-(4-propylcyclohexyl)pyrimidine-5-carboxylate?
The canonical SMILES for methyl 4-amino-6-methyl-2-(4-propylcyclohexyl)pyrimidine-5-carboxylate is CCCC1CCC(c2nc(C)c(C(=O)OC)c(N)n2)CC1.
What is the InChIKey of methyl 4-amino-6-methyl-2-(4-propylcyclohexyl)pyrimidine-5-carboxylate?
The InChIKey is WQUQIGYJGXZECX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N3O2/c1-4-5-11-6-8-12(9-7-11)15-18-10(2)13(14(17)19-15)16(20)21-3/h11-12H,4-9H2,1-3H3,(H2,17,18,19).
What are the key properties of methyl 4-amino-6-methyl-2-(4-propylcyclohexyl)pyrimidine-5-carboxylate?
methyl 4-amino-6-methyl-2-(4-propylcyclohexyl)pyrimidine-5-carboxylate has a molecular weight of 291.39 g/mol, XLogP of 3.23, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-amino-6-methyl-2-(4-propylcyclohexyl)pyrimidine-5-carboxylate is sourced from PubChem (CID 116647634), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).