methyl 4-[[1-(hydroxymethyl)-4-methylcyclohexyl]amino]-6-methylpyrimidine-2-carboxylate

C15H23N3O3 — CID 66285460

IUPACmethyl 4-[[1-(hydroxymethyl)-4-methylcyclohexyl]amino]-6-methylpyrimidine-2-carboxylate
SMILESCOC(=O)c1nc(C)cc(NC2(CO)CCC(C)CC2)n1
InChIInChI=1S/C15H23N3O3/c1-10-4-6-15(9-19,7-5-10)18-12-8-11(2)16-13(17-12)14(20)21-3/h8,10,19H,4-7,9H2,1-3H3,(H,16,17,18)
InChIKeyVIEANHAQYAOTCY-UHFFFAOYSA-N
MW293.37 g/mol
LogP1.92
Rot. Bonds4

About methyl 4-[[1-(hydroxymethyl)-4-methylcyclohexyl]amino]-6-methylpyrimidine-2-carboxylate

methyl 4-[[1-(hydroxymethyl)-4-methylcyclohexyl]amino]-6-methylpyrimidine-2-carboxylate (PubChem CID 66285460) has the molecular formula C15H23N3O3 and a molecular weight of 293.37 g/mol. Its IUPAC name is methyl 4-[[1-(hydroxymethyl)-4-methylcyclohexyl]amino]-6-methylpyrimidine-2-carboxylate.

Molecular Properties

Compound Namemethyl 4-[[1-(hydroxymethyl)-4-methylcyclohexyl]amino]-6-methylpyrimidine-2-carboxylate
PubChem CID66285460
Molecular FormulaC15H23N3O3
Molecular Weight293.37 g/mol
Exact Mass293.17
IUPAC Namemethyl 4-[[1-(hydroxymethyl)-4-methylcyclohexyl]amino]-6-methylpyrimidine-2-carboxylate
SMILESCOC(=O)c1nc(C)cc(NC2(CO)CCC(C)CC2)n1
InChIInChI=1S/C15H23N3O3/c1-10-4-6-15(9-19,7-5-10)18-12-8-11(2)16-13(17-12)14(20)21-3/h8,10,19H,4-7,9H2,1-3H3,(H,16,17,18)
InChIKeyVIEANHAQYAOTCY-UHFFFAOYSA-N
XLogP1.92
TPSA84.34 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.37
LogP ≤ 51.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of methyl 4-[[1-(hydroxymethyl)-4-methylcyclohexyl]amino]-6-methylpyrimidine-2-carboxylate?
The IUPAC name of methyl 4-[[1-(hydroxymethyl)-4-methylcyclohexyl]amino]-6-methylpyrimidine-2-carboxylate (CID 66285460) is methyl 4-[[1-(hydroxymethyl)-4-methylcyclohexyl]amino]-6-methylpyrimidine-2-carboxylate.
What is the SMILES notation for methyl 4-[[1-(hydroxymethyl)-4-methylcyclohexyl]amino]-6-methylpyrimidine-2-carboxylate?
The canonical SMILES for methyl 4-[[1-(hydroxymethyl)-4-methylcyclohexyl]amino]-6-methylpyrimidine-2-carboxylate is COC(=O)c1nc(C)cc(NC2(CO)CCC(C)CC2)n1.
What is the InChIKey of methyl 4-[[1-(hydroxymethyl)-4-methylcyclohexyl]amino]-6-methylpyrimidine-2-carboxylate?
The InChIKey is VIEANHAQYAOTCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3O3/c1-10-4-6-15(9-19,7-5-10)18-12-8-11(2)16-13(17-12)14(20)21-3/h8,10,19H,4-7,9H2,1-3H3,(H,16,17,18).
What are the key properties of methyl 4-[[1-(hydroxymethyl)-4-methylcyclohexyl]amino]-6-methylpyrimidine-2-carboxylate?
methyl 4-[[1-(hydroxymethyl)-4-methylcyclohexyl]amino]-6-methylpyrimidine-2-carboxylate has a molecular weight of 293.37 g/mol, XLogP of 1.92, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-[[1-(hydroxymethyl)-4-methylcyclohexyl]amino]-6-methylpyrimidine-2-carboxylate is sourced from PubChem (CID 66285460), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).