methyl 6-amino-2-(2-pyridin-3-ylmorpholin-4-yl)pyrimidine-4-carboxylate

C15H17N5O3 — CID 146039102

IUPACmethyl 6-amino-2-(2-pyridin-3-ylmorpholin-4-yl)pyrimidine-4-carboxylate
SMILESCOC(=O)c1cc(N)nc(N2CCOC(c3cccnc3)C2)n1
InChIInChI=1S/C15H17N5O3/c1-22-14(21)11-7-13(16)19-15(18-11)20-5-6-23-12(9-20)10-3-2-4-17-8-10/h2-4,7-8,12H,5-6,9H2,1H3,(H2,16,18,19)
InChIKeyGBHXBGWITBBKAO-UHFFFAOYSA-N
MW315.33 g/mol
LogP0.82
Rot. Bonds3

About methyl 6-amino-2-(2-pyridin-3-ylmorpholin-4-yl)pyrimidine-4-carboxylate

methyl 6-amino-2-(2-pyridin-3-ylmorpholin-4-yl)pyrimidine-4-carboxylate (PubChem CID 146039102) has the molecular formula C15H17N5O3 and a molecular weight of 315.33 g/mol. Its IUPAC name is methyl 6-amino-2-(2-pyridin-3-ylmorpholin-4-yl)pyrimidine-4-carboxylate.

Molecular Properties

Compound Namemethyl 6-amino-2-(2-pyridin-3-ylmorpholin-4-yl)pyrimidine-4-carboxylate
PubChem CID146039102
Molecular FormulaC15H17N5O3
Molecular Weight315.33 g/mol
Exact Mass315.13
IUPAC Namemethyl 6-amino-2-(2-pyridin-3-ylmorpholin-4-yl)pyrimidine-4-carboxylate
SMILESCOC(=O)c1cc(N)nc(N2CCOC(c3cccnc3)C2)n1
InChIInChI=1S/C15H17N5O3/c1-22-14(21)11-7-13(16)19-15(18-11)20-5-6-23-12(9-20)10-3-2-4-17-8-10/h2-4,7-8,12H,5-6,9H2,1H3,(H2,16,18,19)
InChIKeyGBHXBGWITBBKAO-UHFFFAOYSA-N
XLogP0.82
TPSA103.46 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.33
LogP ≤ 50.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

methyl 6-amino-2-(4-hydroxy-3,4-dihydro-1H-isoquinolin-2-yl)pyrimidine-4-carboxylate
CID 146043791
tert-butyl 2-pyridin-3-ylmorpholine-4-carboxylate
CID 16737894
(5-methoxy-1H-indol-2-yl)-(2-pyridin-3-ylmorpholin-4-yl)methanone
CID 91797517
methyl 6-amino-2-[3-(imidazol-1-ylmethyl)piperidin-1-yl]pyrimidine-4-carboxylate
CID 154565616
methyl 6-amino-2-[(1R,5S)-spiro[8-azabicyclo[3.2.1]octane-3,2'-morpholine]-4'-yl]pyrimidine-4-carboxylate;dihydrochloride
CID 154920751
(2S)-N-(1,3-benzodioxol-5-yl)-2-pyridin-3-ylmorpholine-4-carboxamide
CID 97105209
[3-(3-methoxy-6-methyl-2-pyridinyl)phenyl]-(2-pyridin-3-ylmorpholin-4-yl)methanone
CID 169418355
4-(6,11-dihydro-5H-pyrido[3,2-c][1,5]benzodiazepin-8-yl)-2-pyridin-3-ylmorpholine
CID 154974491
methyl 6-amino-2-[4-(6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-3-yl)piperidin-1-yl]pyrimidine-4-carboxylate
CID 146041224
ethyl 2-[(2R)-2-phenylmorpholin-4-yl]pyridine-3-carboxylate
CID 94179717
2-(6-methoxynaphthalen-2-yl)-4-pyrimidin-2-ylmorpholine
CID 56878637
methyl 1-(3-pyridin-3-ylpyrrolidine-1-carbonyl)-3,4-dihydro-2H-quinoline-6-carboxylate
CID 67188217

Frequently Asked Questions

What is the IUPAC name of methyl 6-amino-2-(2-pyridin-3-ylmorpholin-4-yl)pyrimidine-4-carboxylate?
The IUPAC name of methyl 6-amino-2-(2-pyridin-3-ylmorpholin-4-yl)pyrimidine-4-carboxylate (CID 146039102) is methyl 6-amino-2-(2-pyridin-3-ylmorpholin-4-yl)pyrimidine-4-carboxylate.
What is the SMILES notation for methyl 6-amino-2-(2-pyridin-3-ylmorpholin-4-yl)pyrimidine-4-carboxylate?
The canonical SMILES for methyl 6-amino-2-(2-pyridin-3-ylmorpholin-4-yl)pyrimidine-4-carboxylate is COC(=O)c1cc(N)nc(N2CCOC(c3cccnc3)C2)n1.
What is the InChIKey of methyl 6-amino-2-(2-pyridin-3-ylmorpholin-4-yl)pyrimidine-4-carboxylate?
The InChIKey is GBHXBGWITBBKAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N5O3/c1-22-14(21)11-7-13(16)19-15(18-11)20-5-6-23-12(9-20)10-3-2-4-17-8-10/h2-4,7-8,12H,5-6,9H2,1H3,(H2,16,18,19).
What are the key properties of methyl 6-amino-2-(2-pyridin-3-ylmorpholin-4-yl)pyrimidine-4-carboxylate?
methyl 6-amino-2-(2-pyridin-3-ylmorpholin-4-yl)pyrimidine-4-carboxylate has a molecular weight of 315.33 g/mol, XLogP of 0.82, 3 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 6-amino-2-(2-pyridin-3-ylmorpholin-4-yl)pyrimidine-4-carboxylate is sourced from PubChem (CID 146039102), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).