methyl 4-[[4-(hydroxymethyl)phenyl]methylamino]-6-methylpyrimidine-2-carboxylate

C15H17N3O3 — CID 107232375

IUPACmethyl 4-[[4-(hydroxymethyl)phenyl]methylamino]-6-methylpyrimidine-2-carboxylate
SMILESCOC(=O)c1nc(C)cc(NCc2ccc(CO)cc2)n1
InChIInChI=1S/C15H17N3O3/c1-10-7-13(18-14(17-10)15(20)21-2)16-8-11-3-5-12(9-19)6-4-11/h3-7,19H,8-9H2,1-2H3,(H,16,17,18)
InChIKeyHFCJQJFBMVTIQR-UHFFFAOYSA-N
MW287.32 g/mol
LogP1.68
Rot. Bonds5

About methyl 4-[[4-(hydroxymethyl)phenyl]methylamino]-6-methylpyrimidine-2-carboxylate

methyl 4-[[4-(hydroxymethyl)phenyl]methylamino]-6-methylpyrimidine-2-carboxylate (PubChem CID 107232375) has the molecular formula C15H17N3O3 and a molecular weight of 287.32 g/mol. Its IUPAC name is methyl 4-[[4-(hydroxymethyl)phenyl]methylamino]-6-methylpyrimidine-2-carboxylate.

Molecular Properties

Compound Namemethyl 4-[[4-(hydroxymethyl)phenyl]methylamino]-6-methylpyrimidine-2-carboxylate
PubChem CID107232375
Molecular FormulaC15H17N3O3
Molecular Weight287.32 g/mol
Exact Mass287.13
IUPAC Namemethyl 4-[[4-(hydroxymethyl)phenyl]methylamino]-6-methylpyrimidine-2-carboxylate
SMILESCOC(=O)c1nc(C)cc(NCc2ccc(CO)cc2)n1
InChIInChI=1S/C15H17N3O3/c1-10-7-13(18-14(17-10)15(20)21-2)16-8-11-3-5-12(9-19)6-4-11/h3-7,19H,8-9H2,1-2H3,(H,16,17,18)
InChIKeyHFCJQJFBMVTIQR-UHFFFAOYSA-N
XLogP1.68
TPSA84.34 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.32
LogP ≤ 51.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

methyl 4-methyl-6-(pyridin-4-ylmethylamino)pyrimidine-2-carboxylate
CID 66286224
methyl 4-(2-hydroxyethylamino)-6-methylpyrimidine-2-carboxylate
CID 66285824
methyl 4-methyl-6-[(1-methylpyrazol-4-yl)methylamino]pyrimidine-2-carboxylate
CID 66287055
methyl 4-methyl-6-[(5-methylfuran-2-yl)methylamino]pyrimidine-2-carboxylate
CID 66284656
methyl 4-methyl-6-[2-(methylamino)ethylamino]pyrimidine-2-carboxylate
CID 66284897
methyl 4-methyl-6-(pyridin-2-ylmethylamino)pyrimidine-2-carboxylate
CID 66287616
methyl 4-(6-hydroxyhexylamino)-6-methylpyrimidine-2-carboxylate
CID 107848843
methyl 4-methyl-6-[(2-methyl-1,3-thiazol-4-yl)methylamino]pyrimidine-2-carboxylate
CID 66286050
methyl 4-methyl-6-(1H-1,2,4-triazol-5-ylmethylamino)pyrimidine-2-carboxylate
CID 66286437
methyl 4-methyl-6-(methylamino)pyrimidine-2-carboxylate
CID 66284805
3-[(2-methoxycarbonyl-6-methylpyrimidin-4-yl)amino]-2,2-dimethylpropanoic acid
CID 113307925
methyl 4-methyl-6-[(4-methyl-1,2,4-triazol-3-yl)methylamino]pyrimidine-2-carboxylate
CID 66287047

Frequently Asked Questions

What is the IUPAC name of methyl 4-[[4-(hydroxymethyl)phenyl]methylamino]-6-methylpyrimidine-2-carboxylate?
The IUPAC name of methyl 4-[[4-(hydroxymethyl)phenyl]methylamino]-6-methylpyrimidine-2-carboxylate (CID 107232375) is methyl 4-[[4-(hydroxymethyl)phenyl]methylamino]-6-methylpyrimidine-2-carboxylate.
What is the SMILES notation for methyl 4-[[4-(hydroxymethyl)phenyl]methylamino]-6-methylpyrimidine-2-carboxylate?
The canonical SMILES for methyl 4-[[4-(hydroxymethyl)phenyl]methylamino]-6-methylpyrimidine-2-carboxylate is COC(=O)c1nc(C)cc(NCc2ccc(CO)cc2)n1.
What is the InChIKey of methyl 4-[[4-(hydroxymethyl)phenyl]methylamino]-6-methylpyrimidine-2-carboxylate?
The InChIKey is HFCJQJFBMVTIQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N3O3/c1-10-7-13(18-14(17-10)15(20)21-2)16-8-11-3-5-12(9-19)6-4-11/h3-7,19H,8-9H2,1-2H3,(H,16,17,18).
What are the key properties of methyl 4-[[4-(hydroxymethyl)phenyl]methylamino]-6-methylpyrimidine-2-carboxylate?
methyl 4-[[4-(hydroxymethyl)phenyl]methylamino]-6-methylpyrimidine-2-carboxylate has a molecular weight of 287.32 g/mol, XLogP of 1.68, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-[[4-(hydroxymethyl)phenyl]methylamino]-6-methylpyrimidine-2-carboxylate is sourced from PubChem (CID 107232375), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).