4-methyl-2-(3-morpholin-4-ylpropylamino)pyrimidine-5-carboxylic acid

C13H20N4O3 — CID 83182094

IUPAC4-methyl-2-(3-morpholin-4-ylpropylamino)pyrimidine-5-carboxylic acid
SMILESCc1nc(NCCCN2CCOCC2)ncc1C(=O)O
InChIInChI=1S/C13H20N4O3/c1-10-11(12(18)19)9-15-13(16-10)14-3-2-4-17-5-7-20-8-6-17/h9H,2-8H2,1H3,(H,18,19)(H,14,15,16)
InChIKeyGCOPZQAXBRZDRV-UHFFFAOYSA-N
MW280.33 g/mol
LogP0.62
Rot. Bonds6

About 4-methyl-2-(3-morpholin-4-ylpropylamino)pyrimidine-5-carboxylic acid

4-methyl-2-(3-morpholin-4-ylpropylamino)pyrimidine-5-carboxylic acid (PubChem CID 83182094) has the molecular formula C13H20N4O3 and a molecular weight of 280.33 g/mol. Its IUPAC name is 4-methyl-2-(3-morpholin-4-ylpropylamino)pyrimidine-5-carboxylic acid.

Molecular Properties

Compound Name4-methyl-2-(3-morpholin-4-ylpropylamino)pyrimidine-5-carboxylic acid
PubChem CID83182094
Molecular FormulaC13H20N4O3
Molecular Weight280.33 g/mol
Exact Mass280.15
IUPAC Name4-methyl-2-(3-morpholin-4-ylpropylamino)pyrimidine-5-carboxylic acid
SMILESCc1nc(NCCCN2CCOCC2)ncc1C(=O)O
InChIInChI=1S/C13H20N4O3/c1-10-11(12(18)19)9-15-13(16-10)14-3-2-4-17-5-7-20-8-6-17/h9H,2-8H2,1H3,(H,18,19)(H,14,15,16)
InChIKeyGCOPZQAXBRZDRV-UHFFFAOYSA-N
XLogP0.62
TPSA87.58 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.33
LogP ≤ 50.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

ethyl 4-methyl-2-(2-morpholin-4-ylethylamino)pyrimidine-5-carboxylate
CID 17121387
5-methyl-4-N-(3-morpholin-4-ylpropyl)-2-N-propylpyrimidine-2,4-diamine
CID 80773073
2-N-(3-morpholin-4-ylpropyl)pyrimidine-2,5-diamine
CID 24823423
2-[2-[(3R,4S)-4-hydroxyoxolan-3-yl]ethylamino]-4-methylpyrimidine-5-carboxylic acid
CID 167757701
3-methyl-2-(3-morpholin-4-ylpropylamino)benzoic acid
CID 107111875
4-methyl-2-[2-(2-methylpyrazol-3-yl)ethylamino]pyrimidine-5-carboxylic acid
CID 103007454
4-methyl-2-[2-(1-methylimidazol-2-yl)ethylamino]pyrimidine-5-carboxylic acid
CID 83182047
4-methyl-2-(3-morpholin-4-ylpropylamino)-1,3-thiazole-5-carboxylic acid
CID 80570559
4-amino-2-(3-morpholin-4-ylpropylamino)pyrimidine-5-carbonitrile
CID 146673965
N-(3-morpholin-4-ylpropyl)-2-propylpyrazolo[3,4-d]pyrimidin-6-amine
CID 141189467
ethyl 4-methyl-2-[3-(1-methylpiperidin-4-yl)propylamino]pyrimidine-5-carboxylate;4-methyl-2-[3-(1-methylpiperidin-4-yl)propylamino]pyrimidine-5-carboxylic acid
CID 157231341
3-chloro-2-(3-morpholin-4-ylpropylamino)pyridine-4-carboxylic acid
CID 107061850

Frequently Asked Questions

What is the IUPAC name of 4-methyl-2-(3-morpholin-4-ylpropylamino)pyrimidine-5-carboxylic acid?
The IUPAC name of 4-methyl-2-(3-morpholin-4-ylpropylamino)pyrimidine-5-carboxylic acid (CID 83182094) is 4-methyl-2-(3-morpholin-4-ylpropylamino)pyrimidine-5-carboxylic acid.
What is the SMILES notation for 4-methyl-2-(3-morpholin-4-ylpropylamino)pyrimidine-5-carboxylic acid?
The canonical SMILES for 4-methyl-2-(3-morpholin-4-ylpropylamino)pyrimidine-5-carboxylic acid is Cc1nc(NCCCN2CCOCC2)ncc1C(=O)O.
What is the InChIKey of 4-methyl-2-(3-morpholin-4-ylpropylamino)pyrimidine-5-carboxylic acid?
The InChIKey is GCOPZQAXBRZDRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N4O3/c1-10-11(12(18)19)9-15-13(16-10)14-3-2-4-17-5-7-20-8-6-17/h9H,2-8H2,1H3,(H,18,19)(H,14,15,16).
What are the key properties of 4-methyl-2-(3-morpholin-4-ylpropylamino)pyrimidine-5-carboxylic acid?
4-methyl-2-(3-morpholin-4-ylpropylamino)pyrimidine-5-carboxylic acid has a molecular weight of 280.33 g/mol, XLogP of 0.62, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-2-(3-morpholin-4-ylpropylamino)pyrimidine-5-carboxylic acid is sourced from PubChem (CID 83182094), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).