methyl 4-(1-hydroxybutan-2-ylamino)-6-methylpyrimidine-2-carboxylate

C11H17N3O3 — CID 66285830

IUPACmethyl 4-(1-hydroxybutan-2-ylamino)-6-methylpyrimidine-2-carboxylate
SMILESCCC(CO)Nc1cc(C)nc(C(=O)OC)n1
InChIInChI=1S/C11H17N3O3/c1-4-8(6-15)13-9-5-7(2)12-10(14-9)11(16)17-3/h5,8,15H,4,6H2,1-3H3,(H,12,13,14)
InChIKeyOEYNOUVHTZDDOF-UHFFFAOYSA-N
MW239.27 g/mol
LogP0.75
Rot. Bonds5

About methyl 4-(1-hydroxybutan-2-ylamino)-6-methylpyrimidine-2-carboxylate

methyl 4-(1-hydroxybutan-2-ylamino)-6-methylpyrimidine-2-carboxylate (PubChem CID 66285830) has the molecular formula C11H17N3O3 and a molecular weight of 239.27 g/mol. Its IUPAC name is methyl 4-(1-hydroxybutan-2-ylamino)-6-methylpyrimidine-2-carboxylate.

Molecular Properties

Compound Namemethyl 4-(1-hydroxybutan-2-ylamino)-6-methylpyrimidine-2-carboxylate
PubChem CID66285830
Molecular FormulaC11H17N3O3
Molecular Weight239.27 g/mol
Exact Mass239.13
IUPAC Namemethyl 4-(1-hydroxybutan-2-ylamino)-6-methylpyrimidine-2-carboxylate
SMILESCCC(CO)Nc1cc(C)nc(C(=O)OC)n1
InChIInChI=1S/C11H17N3O3/c1-4-8(6-15)13-9-5-7(2)12-10(14-9)11(16)17-3/h5,8,15H,4,6H2,1-3H3,(H,12,13,14)
InChIKeyOEYNOUVHTZDDOF-UHFFFAOYSA-N
XLogP0.75
TPSA84.34 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.27
LogP ≤ 50.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

methyl 4-[(1-hydroxy-3-methylbutan-2-yl)amino]-6-methylpyrimidine-2-carboxylate
CID 79249417
2-[(2,6-dimethylpyrimidin-4-yl)amino]butan-1-ol
CID 60725889
methyl 4-[(4-hydroxy-3-methylsulfanylbutan-2-yl)amino]-6-methylpyrimidine-2-carboxylate
CID 106158982
methyl 4-methyl-6-(1-methylsulfonylpropan-2-ylamino)pyrimidine-2-carboxylate
CID 66286088
methyl 4-methyl-6-(methylamino)pyrimidine-2-carboxylate
CID 66284805
methyl 4-(2-hydroxyethylamino)-6-methylpyrimidine-2-carboxylate
CID 66285824
methyl 4-[[1-(dimethylamino)-3-methylbutan-2-yl]amino]-6-methylpyrimidine-2-carboxylate
CID 66285245
methyl 4-methyl-6-(2-methylbutan-2-ylamino)pyrimidine-2-carboxylate
CID 113470480
methyl 4-methyl-6-[2-(methylamino)ethylamino]pyrimidine-2-carboxylate
CID 66284897
methyl 4-(6-hydroxyhexylamino)-6-methylpyrimidine-2-carboxylate
CID 107848843
methyl 4-[[4-(hydroxymethyl)phenyl]methylamino]-6-methylpyrimidine-2-carboxylate
CID 107232375
3-[(2-methoxycarbonyl-6-methylpyrimidin-4-yl)amino]-2,2-dimethylpropanoic acid
CID 113307925

Frequently Asked Questions

What is the IUPAC name of methyl 4-(1-hydroxybutan-2-ylamino)-6-methylpyrimidine-2-carboxylate?
The IUPAC name of methyl 4-(1-hydroxybutan-2-ylamino)-6-methylpyrimidine-2-carboxylate (CID 66285830) is methyl 4-(1-hydroxybutan-2-ylamino)-6-methylpyrimidine-2-carboxylate.
What is the SMILES notation for methyl 4-(1-hydroxybutan-2-ylamino)-6-methylpyrimidine-2-carboxylate?
The canonical SMILES for methyl 4-(1-hydroxybutan-2-ylamino)-6-methylpyrimidine-2-carboxylate is CCC(CO)Nc1cc(C)nc(C(=O)OC)n1.
What is the InChIKey of methyl 4-(1-hydroxybutan-2-ylamino)-6-methylpyrimidine-2-carboxylate?
The InChIKey is OEYNOUVHTZDDOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3O3/c1-4-8(6-15)13-9-5-7(2)12-10(14-9)11(16)17-3/h5,8,15H,4,6H2,1-3H3,(H,12,13,14).
What are the key properties of methyl 4-(1-hydroxybutan-2-ylamino)-6-methylpyrimidine-2-carboxylate?
methyl 4-(1-hydroxybutan-2-ylamino)-6-methylpyrimidine-2-carboxylate has a molecular weight of 239.27 g/mol, XLogP of 0.75, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-(1-hydroxybutan-2-ylamino)-6-methylpyrimidine-2-carboxylate is sourced from PubChem (CID 66285830), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).