methyl 4-(6-propan-2-ylpyrimidin-4-yl)morpholine-3-carboxylate

C13H19N3O3 — CID 113451826

IUPACmethyl 4-(6-propan-2-ylpyrimidin-4-yl)morpholine-3-carboxylate
SMILESCOC(=O)C1COCCN1c1cc(C(C)C)ncn1
InChIInChI=1S/C13H19N3O3/c1-9(2)10-6-12(15-8-14-10)16-4-5-19-7-11(16)13(17)18-3/h6,8-9,11H,4-5,7H2,1-3H3
InChIKeyPNIPUTCSAYMCAP-UHFFFAOYSA-N
MW265.31 g/mol
LogP0.98
Rot. Bonds3

About methyl 4-(6-propan-2-ylpyrimidin-4-yl)morpholine-3-carboxylate

methyl 4-(6-propan-2-ylpyrimidin-4-yl)morpholine-3-carboxylate (PubChem CID 113451826) has the molecular formula C13H19N3O3 and a molecular weight of 265.31 g/mol. Its IUPAC name is methyl 4-(6-propan-2-ylpyrimidin-4-yl)morpholine-3-carboxylate.

Molecular Properties

Compound Namemethyl 4-(6-propan-2-ylpyrimidin-4-yl)morpholine-3-carboxylate
PubChem CID113451826
Molecular FormulaC13H19N3O3
Molecular Weight265.31 g/mol
Exact Mass265.14
IUPAC Namemethyl 4-(6-propan-2-ylpyrimidin-4-yl)morpholine-3-carboxylate
SMILESCOC(=O)C1COCCN1c1cc(C(C)C)ncn1
InChIInChI=1S/C13H19N3O3/c1-9(2)10-6-12(15-8-14-10)16-4-5-19-7-11(16)13(17)18-3/h6,8-9,11H,4-5,7H2,1-3H3
InChIKeyPNIPUTCSAYMCAP-UHFFFAOYSA-N
XLogP0.98
TPSA64.55 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.31
LogP ≤ 50.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

methyl 1-(6-propan-2-ylpyrimidin-4-yl)pyrrolidine-2-carboxylate
CID 55031092
(2S)-1-(6-propan-2-ylpyrimidin-4-yl)pyrrolidine-2-carboxylic acid
CID 122059787
methyl 4-(3-methylpyrazin-2-yl)morpholine-3-carboxylate
CID 104775194
4-(6-propan-2-ylpyrimidin-4-yl)thiomorpholine-3-carboxylic acid
CID 82904493
4-methyl-1-(6-propan-2-ylpyrimidin-4-yl)piperidine-2-carboxylic acid
CID 114422399
methyl 4-(5-fluoropyrimidin-2-yl)morpholine-3-carboxylate
CID 104775170
methyl 4-(3-methyl-5-nitro-2-pyridinyl)morpholine-3-carboxylate
CID 104775304
N-cyclopropyl-4-[6-(methylamino)pyrimidin-4-yl]morpholine-3-carboxamide
CID 83103920
4-(4-methoxycarbonyl-2-pyridinyl)morpholine-3-carboxylic acid
CID 114074932
methyl 4-(3-chloro-2-pyridinyl)morpholine-3-carboxylate
CID 104775121
methyl 4-(2-cyano-3-pyridinyl)morpholine-3-carboxylate
CID 104774614
methyl 4-(6-acetyl-3-pyridinyl)morpholine-3-carboxylate
CID 104775209

Frequently Asked Questions

What is the IUPAC name of methyl 4-(6-propan-2-ylpyrimidin-4-yl)morpholine-3-carboxylate?
The IUPAC name of methyl 4-(6-propan-2-ylpyrimidin-4-yl)morpholine-3-carboxylate (CID 113451826) is methyl 4-(6-propan-2-ylpyrimidin-4-yl)morpholine-3-carboxylate.
What is the SMILES notation for methyl 4-(6-propan-2-ylpyrimidin-4-yl)morpholine-3-carboxylate?
The canonical SMILES for methyl 4-(6-propan-2-ylpyrimidin-4-yl)morpholine-3-carboxylate is COC(=O)C1COCCN1c1cc(C(C)C)ncn1.
What is the InChIKey of methyl 4-(6-propan-2-ylpyrimidin-4-yl)morpholine-3-carboxylate?
The InChIKey is PNIPUTCSAYMCAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3O3/c1-9(2)10-6-12(15-8-14-10)16-4-5-19-7-11(16)13(17)18-3/h6,8-9,11H,4-5,7H2,1-3H3.
What are the key properties of methyl 4-(6-propan-2-ylpyrimidin-4-yl)morpholine-3-carboxylate?
methyl 4-(6-propan-2-ylpyrimidin-4-yl)morpholine-3-carboxylate has a molecular weight of 265.31 g/mol, XLogP of 0.98, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-(6-propan-2-ylpyrimidin-4-yl)morpholine-3-carboxylate is sourced from PubChem (CID 113451826), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).