2-[2-(cyclopropylamino)morpholin-4-yl]pyrimidine-4-carboxylic acid

C12H16N4O3 — CID 175373941

IUPAC2-[2-(cyclopropylamino)morpholin-4-yl]pyrimidine-4-carboxylic acid
SMILESO=C(O)c1ccnc(N2CCOC(NC3CC3)C2)n1
InChIInChI=1S/C12H16N4O3/c17-11(18)9-3-4-13-12(15-9)16-5-6-19-10(7-16)14-8-1-2-8/h3-4,8,10,14H,1-2,5-7H2,(H,17,18)
InChIKeyMSKRJFBXDYXYLT-UHFFFAOYSA-N
MW264.28 g/mol
LogP0.09
Rot. Bonds4

About 2-[2-(cyclopropylamino)morpholin-4-yl]pyrimidine-4-carboxylic acid

2-[2-(cyclopropylamino)morpholin-4-yl]pyrimidine-4-carboxylic acid (PubChem CID 175373941) has the molecular formula C12H16N4O3 and a molecular weight of 264.28 g/mol. Its IUPAC name is 2-[2-(cyclopropylamino)morpholin-4-yl]pyrimidine-4-carboxylic acid.

Molecular Properties

Compound Name2-[2-(cyclopropylamino)morpholin-4-yl]pyrimidine-4-carboxylic acid
PubChem CID175373941
Molecular FormulaC12H16N4O3
Molecular Weight264.28 g/mol
Exact Mass264.12
IUPAC Name2-[2-(cyclopropylamino)morpholin-4-yl]pyrimidine-4-carboxylic acid
SMILESO=C(O)c1ccnc(N2CCOC(NC3CC3)C2)n1
InChIInChI=1S/C12H16N4O3/c17-11(18)9-3-4-13-12(15-9)16-5-6-19-10(7-16)14-8-1-2-8/h3-4,8,10,14H,1-2,5-7H2,(H,17,18)
InChIKeyMSKRJFBXDYXYLT-UHFFFAOYSA-N
XLogP0.09
TPSA87.58 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.28
LogP ≤ 50.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

2-(3-pyrrolidin-1-ylpyrrolidin-1-yl)pyrimidine-4-carboxylic acid
CID 107553915
2-[3-(difluoromethyl)piperidin-1-yl]pyrimidine-4-carboxylic acid
CID 166259280
2-(2,2-dimethylmorpholin-4-yl)pyrimidine-4-carboxylic acid
CID 107553663
2-(3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazin-4-yl)pyrimidine-4-carboxylic acid
CID 107553724
N-cyclopropyl-4-[4-(dimethylamino)pyrimidin-2-yl]morpholine-2-carboxamide
CID 163352589
(2R)-N-methyl-4-(4-methylpyrimidin-2-yl)morpholine-2-carboxamide
CID 97348797
2-(4-piperidin-1-ylpiperidin-1-yl)pyrimidine-4-carboxylic acid
CID 107553688
2-[(3R)-3-hydroxypyrrolidin-1-yl]pyrimidine-4-carboxamide
CID 123733519
[4-(4-methylpyrimidin-2-yl)morpholin-2-yl]-thiomorpholin-4-ylmethanone
CID 154580734
[4-[4-(dimethylamino)pyrimidin-2-yl]morpholin-2-yl]-pyrrolidin-1-ylmethanone
CID 163345813
(2R)-N-(oxan-4-yl)-4-pyrimidin-2-ylmorpholine-2-carboxamide
CID 95813092
2-[(cyclopropylamino)methyl]pyrimidine-4-carboxylic acid
CID 84664586

Frequently Asked Questions

What is the IUPAC name of 2-[2-(cyclopropylamino)morpholin-4-yl]pyrimidine-4-carboxylic acid?
The IUPAC name of 2-[2-(cyclopropylamino)morpholin-4-yl]pyrimidine-4-carboxylic acid (CID 175373941) is 2-[2-(cyclopropylamino)morpholin-4-yl]pyrimidine-4-carboxylic acid.
What is the SMILES notation for 2-[2-(cyclopropylamino)morpholin-4-yl]pyrimidine-4-carboxylic acid?
The canonical SMILES for 2-[2-(cyclopropylamino)morpholin-4-yl]pyrimidine-4-carboxylic acid is O=C(O)c1ccnc(N2CCOC(NC3CC3)C2)n1.
What is the InChIKey of 2-[2-(cyclopropylamino)morpholin-4-yl]pyrimidine-4-carboxylic acid?
The InChIKey is MSKRJFBXDYXYLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N4O3/c17-11(18)9-3-4-13-12(15-9)16-5-6-19-10(7-16)14-8-1-2-8/h3-4,8,10,14H,1-2,5-7H2,(H,17,18).
What are the key properties of 2-[2-(cyclopropylamino)morpholin-4-yl]pyrimidine-4-carboxylic acid?
2-[2-(cyclopropylamino)morpholin-4-yl]pyrimidine-4-carboxylic acid has a molecular weight of 264.28 g/mol, XLogP of 0.09, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(cyclopropylamino)morpholin-4-yl]pyrimidine-4-carboxylic acid is sourced from PubChem (CID 175373941), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).