3-[(2-amino-6-morpholin-4-ylpyrimidin-4-yl)amino]-N-cyclohexylpropanamide

C17H28N6O2 — CID 50982599

IUPAC3-[(2-amino-6-morpholin-4-ylpyrimidin-4-yl)amino]-N-cyclohexylpropanamide
SMILESNc1nc(NCCC(=O)NC2CCCCC2)cc(N2CCOCC2)n1
InChIInChI=1S/C17H28N6O2/c18-17-21-14(12-15(22-17)23-8-10-25-11-9-23)19-7-6-16(24)20-13-4-2-1-3-5-13/h12-13H,1-11H2,(H,20,24)(H3,18,19,21,22)
InChIKeyOSVPZOGLOZFVGI-UHFFFAOYSA-N
MW348.45 g/mol
LogP1.15
Rot. Bonds6

About 3-[(2-amino-6-morpholin-4-ylpyrimidin-4-yl)amino]-N-cyclohexylpropanamide

3-[(2-amino-6-morpholin-4-ylpyrimidin-4-yl)amino]-N-cyclohexylpropanamide (PubChem CID 50982599) has the molecular formula C17H28N6O2 and a molecular weight of 348.45 g/mol. Its IUPAC name is 3-[(2-amino-6-morpholin-4-ylpyrimidin-4-yl)amino]-N-cyclohexylpropanamide.

Molecular Properties

Compound Name3-[(2-amino-6-morpholin-4-ylpyrimidin-4-yl)amino]-N-cyclohexylpropanamide
PubChem CID50982599
Molecular FormulaC17H28N6O2
Molecular Weight348.45 g/mol
Exact Mass348.23
IUPAC Name3-[(2-amino-6-morpholin-4-ylpyrimidin-4-yl)amino]-N-cyclohexylpropanamide
SMILESNc1nc(NCCC(=O)NC2CCCCC2)cc(N2CCOCC2)n1
InChIInChI=1S/C17H28N6O2/c18-17-21-14(12-15(22-17)23-8-10-25-11-9-23)19-7-6-16(24)20-13-4-2-1-3-5-13/h12-13H,1-11H2,(H,20,24)(H3,18,19,21,22)
InChIKeyOSVPZOGLOZFVGI-UHFFFAOYSA-N
XLogP1.15
TPSA105.40 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.45
LogP ≤ 51.15
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Related Compounds

3-[(2-amino-6-morpholin-4-ylpyrimidin-4-yl)amino]-N-(2-methylphenyl)propanamide
CID 50967882
N-cycloheptyl-3-(2-morpholin-4-ylanilino)propanamide
CID 109031514
6-[[2-(cyclopentylamino)-2-oxoethyl]amino]-2-morpholin-4-ylpyrimidine-4-carboxylic acid
CID 68517206
2-[(2-amino-6-piperidin-1-ylpyrimidin-4-yl)amino]ethanol
CID 22613293
N-cyclohexyl-3-[(5-methyl-1,2-oxazol-3-yl)amino]propanamide
CID 109014106
3-[(2-aminopyrimidin-4-yl)amino]-N-cyclopropylpropanamide
CID 80849638
4-N-methyl-6-morpholin-4-ylpyrimidine-2,4-diamine
CID 80767642
N-[1-(2-amino-6-hydrazinylpyrimidin-4-yl)piperidin-4-yl]acetamide
CID 113402704
2-[[2-amino-6-(4-piperidin-1-ylpiperidin-1-yl)pyrimidin-4-yl]amino]ethanol
CID 50948345
6-morpholin-4-yl-4-N-[(3S)-1-propylpiperidin-3-yl]pyrimidine-2,4-diamine
CID 95144373
[(3S)-3-[(2-amino-6-morpholin-4-ylpyrimidin-4-yl)amino]piperidin-1-yl]-(furan-2-yl)methanone
CID 95119604
N-cyclopropyl-3-(2-morpholin-4-yl-4-pyridinyl)propanamide
CID 53186023

Frequently Asked Questions

What is the IUPAC name of 3-[(2-amino-6-morpholin-4-ylpyrimidin-4-yl)amino]-N-cyclohexylpropanamide?
The IUPAC name of 3-[(2-amino-6-morpholin-4-ylpyrimidin-4-yl)amino]-N-cyclohexylpropanamide (CID 50982599) is 3-[(2-amino-6-morpholin-4-ylpyrimidin-4-yl)amino]-N-cyclohexylpropanamide.
What is the SMILES notation for 3-[(2-amino-6-morpholin-4-ylpyrimidin-4-yl)amino]-N-cyclohexylpropanamide?
The canonical SMILES for 3-[(2-amino-6-morpholin-4-ylpyrimidin-4-yl)amino]-N-cyclohexylpropanamide is Nc1nc(NCCC(=O)NC2CCCCC2)cc(N2CCOCC2)n1.
What is the InChIKey of 3-[(2-amino-6-morpholin-4-ylpyrimidin-4-yl)amino]-N-cyclohexylpropanamide?
The InChIKey is OSVPZOGLOZFVGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N6O2/c18-17-21-14(12-15(22-17)23-8-10-25-11-9-23)19-7-6-16(24)20-13-4-2-1-3-5-13/h12-13H,1-11H2,(H,20,24)(H3,18,19,21,22).
What are the key properties of 3-[(2-amino-6-morpholin-4-ylpyrimidin-4-yl)amino]-N-cyclohexylpropanamide?
3-[(2-amino-6-morpholin-4-ylpyrimidin-4-yl)amino]-N-cyclohexylpropanamide has a molecular weight of 348.45 g/mol, XLogP of 1.15, 6 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2-amino-6-morpholin-4-ylpyrimidin-4-yl)amino]-N-cyclohexylpropanamide is sourced from PubChem (CID 50982599), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).