methyl 5-[1,2-dihydroxy-3-(methylamino)propyl]pyrimidine-2-carboxylate

C10H15N3O4 — CID 171858316

IUPACmethyl 5-[1,2-dihydroxy-3-(methylamino)propyl]pyrimidine-2-carboxylate
SMILESCNCC(O)C(O)c1cnc(C(=O)OC)nc1
InChIInChI=1S/C10H15N3O4/c1-11-5-7(14)8(15)6-3-12-9(13-4-6)10(16)17-2/h3-4,7-8,11,14-15H,5H2,1-2H3
InChIKeyMIWMQGIUMQWWAV-UHFFFAOYSA-N
MW241.25 g/mol
LogP-1.12
Rot. Bonds5

About methyl 5-[1,2-dihydroxy-3-(methylamino)propyl]pyrimidine-2-carboxylate

methyl 5-[1,2-dihydroxy-3-(methylamino)propyl]pyrimidine-2-carboxylate (PubChem CID 171858316) has the molecular formula C10H15N3O4 and a molecular weight of 241.25 g/mol. Its IUPAC name is methyl 5-[1,2-dihydroxy-3-(methylamino)propyl]pyrimidine-2-carboxylate.

Molecular Properties

Compound Namemethyl 5-[1,2-dihydroxy-3-(methylamino)propyl]pyrimidine-2-carboxylate
PubChem CID171858316
Molecular FormulaC10H15N3O4
Molecular Weight241.25 g/mol
Exact Mass241.11
IUPAC Namemethyl 5-[1,2-dihydroxy-3-(methylamino)propyl]pyrimidine-2-carboxylate
SMILESCNCC(O)C(O)c1cnc(C(=O)OC)nc1
InChIInChI=1S/C10H15N3O4/c1-11-5-7(14)8(15)6-3-12-9(13-4-6)10(16)17-2/h3-4,7-8,11,14-15H,5H2,1-2H3
InChIKeyMIWMQGIUMQWWAV-UHFFFAOYSA-N
XLogP-1.12
TPSA104.57 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.25
LogP ≤ 5-1.12
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Related Compounds

methyl 5-[1,2-dihydroxy-3-[(2-methylpropan-2-yl)oxycarbonylamino]propyl]pyrimidine-2-carboxylate
CID 170832490
methyl 5-(1,2-dihydroxy-3-methoxy-3-oxopropyl)pyrimidine-2-carboxylate
CID 171864430
methyl 5-[1,2-dihydroxy-3-(methylamino)propyl]pyridine-3-carboxylate
CID 171858393
3-(methylamino)-1-[2-(methylamino)pyrimidin-5-yl]propane-1,2-diol
CID 171857762
methyl 3-amino-5-[1,2-dihydroxy-3-(methylamino)propyl]benzoate
CID 171858622
methyl 6-chloro-5-[1,2-dihydroxy-3-(methylamino)propyl]pyridine-3-carboxylate
CID 171858607
1-(6-amino-5-methoxy-3-pyridinyl)-3-(methylamino)propane-1,2-diol
CID 171857949
2-[1,2-dihydroxy-3-(methylamino)propyl]-1,3-thiazole-5-carboxylic acid
CID 171857713
ethane;methyl 5-hydroxypyrimidine-2-carboxylate
CID 145316773
methyl 5-[4-(2-methoxycarbonylpyrimidin-5-yl)cyclohexyl]pyrimidine-2-carboxylate
CID 170080455
methyl 5-[4-(9H-fluoren-9-ylmethoxycarbonylamino)-1,2-dihydroxybutyl]pyrimidine-2-carboxylate
CID 171887008
methyl 3-[1,2-dihydroxy-3-(methylamino)propyl]-4-methylbenzoate
CID 171858509

Frequently Asked Questions

What is the IUPAC name of methyl 5-[1,2-dihydroxy-3-(methylamino)propyl]pyrimidine-2-carboxylate?
The IUPAC name of methyl 5-[1,2-dihydroxy-3-(methylamino)propyl]pyrimidine-2-carboxylate (CID 171858316) is methyl 5-[1,2-dihydroxy-3-(methylamino)propyl]pyrimidine-2-carboxylate.
What is the SMILES notation for methyl 5-[1,2-dihydroxy-3-(methylamino)propyl]pyrimidine-2-carboxylate?
The canonical SMILES for methyl 5-[1,2-dihydroxy-3-(methylamino)propyl]pyrimidine-2-carboxylate is CNCC(O)C(O)c1cnc(C(=O)OC)nc1.
What is the InChIKey of methyl 5-[1,2-dihydroxy-3-(methylamino)propyl]pyrimidine-2-carboxylate?
The InChIKey is MIWMQGIUMQWWAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N3O4/c1-11-5-7(14)8(15)6-3-12-9(13-4-6)10(16)17-2/h3-4,7-8,11,14-15H,5H2,1-2H3.
What are the key properties of methyl 5-[1,2-dihydroxy-3-(methylamino)propyl]pyrimidine-2-carboxylate?
methyl 5-[1,2-dihydroxy-3-(methylamino)propyl]pyrimidine-2-carboxylate has a molecular weight of 241.25 g/mol, XLogP of -1.12, 5 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 5-[1,2-dihydroxy-3-(methylamino)propyl]pyrimidine-2-carboxylate is sourced from PubChem (CID 171858316), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).