2-[1-[[(6-methoxy-5-methylpyrimidin-4-yl)amino]methyl]cyclohexyl]acetic acid

C15H23N3O3 — CID 66333956

IUPAC2-[1-[[(6-methoxy-5-methylpyrimidin-4-yl)amino]methyl]cyclohexyl]acetic acid
SMILESCOc1ncnc(NCC2(CC(=O)O)CCCCC2)c1C
InChIInChI=1S/C15H23N3O3/c1-11-13(17-10-18-14(11)21-2)16-9-15(8-12(19)20)6-4-3-5-7-15/h10H,3-9H2,1-2H3,(H,19,20)(H,16,17,18)
InChIKeyPGVUHVHVUARYFY-UHFFFAOYSA-N
MW293.37 g/mol
LogP2.63
Rot. Bonds6

About 2-[1-[[(6-methoxy-5-methylpyrimidin-4-yl)amino]methyl]cyclohexyl]acetic acid

2-[1-[[(6-methoxy-5-methylpyrimidin-4-yl)amino]methyl]cyclohexyl]acetic acid (PubChem CID 66333956) has the molecular formula C15H23N3O3 and a molecular weight of 293.37 g/mol. Its IUPAC name is 2-[1-[[(6-methoxy-5-methylpyrimidin-4-yl)amino]methyl]cyclohexyl]acetic acid.

Molecular Properties

Compound Name2-[1-[[(6-methoxy-5-methylpyrimidin-4-yl)amino]methyl]cyclohexyl]acetic acid
PubChem CID66333956
Molecular FormulaC15H23N3O3
Molecular Weight293.37 g/mol
Exact Mass293.17
IUPAC Name2-[1-[[(6-methoxy-5-methylpyrimidin-4-yl)amino]methyl]cyclohexyl]acetic acid
SMILESCOc1ncnc(NCC2(CC(=O)O)CCCCC2)c1C
InChIInChI=1S/C15H23N3O3/c1-11-13(17-10-18-14(11)21-2)16-9-15(8-12(19)20)6-4-3-5-7-15/h10H,3-9H2,1-2H3,(H,19,20)(H,16,17,18)
InChIKeyPGVUHVHVUARYFY-UHFFFAOYSA-N
XLogP2.63
TPSA84.34 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.37
LogP ≤ 52.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[1-[[(6-methoxy-5-methylpyrimidin-4-yl)amino]methyl]cyclohexyl]acetic acid?
The IUPAC name of 2-[1-[[(6-methoxy-5-methylpyrimidin-4-yl)amino]methyl]cyclohexyl]acetic acid (CID 66333956) is 2-[1-[[(6-methoxy-5-methylpyrimidin-4-yl)amino]methyl]cyclohexyl]acetic acid.
What is the SMILES notation for 2-[1-[[(6-methoxy-5-methylpyrimidin-4-yl)amino]methyl]cyclohexyl]acetic acid?
The canonical SMILES for 2-[1-[[(6-methoxy-5-methylpyrimidin-4-yl)amino]methyl]cyclohexyl]acetic acid is COc1ncnc(NCC2(CC(=O)O)CCCCC2)c1C.
What is the InChIKey of 2-[1-[[(6-methoxy-5-methylpyrimidin-4-yl)amino]methyl]cyclohexyl]acetic acid?
The InChIKey is PGVUHVHVUARYFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3O3/c1-11-13(17-10-18-14(11)21-2)16-9-15(8-12(19)20)6-4-3-5-7-15/h10H,3-9H2,1-2H3,(H,19,20)(H,16,17,18).
What are the key properties of 2-[1-[[(6-methoxy-5-methylpyrimidin-4-yl)amino]methyl]cyclohexyl]acetic acid?
2-[1-[[(6-methoxy-5-methylpyrimidin-4-yl)amino]methyl]cyclohexyl]acetic acid has a molecular weight of 293.37 g/mol, XLogP of 2.63, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[[(6-methoxy-5-methylpyrimidin-4-yl)amino]methyl]cyclohexyl]acetic acid is sourced from PubChem (CID 66333956), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).