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

C18H24N6O2 — CID 50967882

IUPAC3-[(2-amino-6-morpholin-4-ylpyrimidin-4-yl)amino]-N-(2-methylphenyl)propanamide
SMILESCc1ccccc1NC(=O)CCNc1cc(N2CCOCC2)nc(N)n1
InChIInChI=1S/C18H24N6O2/c1-13-4-2-3-5-14(13)21-17(25)6-7-20-15-12-16(23-18(19)22-15)24-8-10-26-11-9-24/h2-5,12H,6-11H2,1H3,(H,21,25)(H3,19,20,22,23)
InChIKeyAFXKDRLXYYPYOF-UHFFFAOYSA-N
MW356.43 g/mol
LogP1.64
Rot. Bonds6

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

3-[(2-amino-6-morpholin-4-ylpyrimidin-4-yl)amino]-N-(2-methylphenyl)propanamide (PubChem CID 50967882) has the molecular formula C18H24N6O2 and a molecular weight of 356.43 g/mol. Its IUPAC name is 3-[(2-amino-6-morpholin-4-ylpyrimidin-4-yl)amino]-N-(2-methylphenyl)propanamide.

Molecular Properties

Compound Name3-[(2-amino-6-morpholin-4-ylpyrimidin-4-yl)amino]-N-(2-methylphenyl)propanamide
PubChem CID50967882
Molecular FormulaC18H24N6O2
Molecular Weight356.43 g/mol
Exact Mass356.20
IUPAC Name3-[(2-amino-6-morpholin-4-ylpyrimidin-4-yl)amino]-N-(2-methylphenyl)propanamide
SMILESCc1ccccc1NC(=O)CCNc1cc(N2CCOCC2)nc(N)n1
InChIInChI=1S/C18H24N6O2/c1-13-4-2-3-5-14(13)21-17(25)6-7-20-15-12-16(23-18(19)22-15)24-8-10-26-11-9-24/h2-5,12H,6-11H2,1H3,(H,21,25)(H3,19,20,22,23)
InChIKeyAFXKDRLXYYPYOF-UHFFFAOYSA-N
XLogP1.64
TPSA105.40 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.43
LogP ≤ 51.64
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-cyclohexylpropanamide
CID 50982599
N-(2-morpholin-4-ylphenyl)-3-(2,4,6-trimethylanilino)propanamide
CID 109037056
1-(2-fluorophenyl)-3-[2-[(2-methyl-6-morpholin-4-ylpyrimidin-4-yl)amino]ethyl]urea
CID 50945805
1-(2-methylphenyl)-3-[2-[(2-methyl-6-piperidin-1-ylpyrimidin-4-yl)amino]ethyl]urea
CID 122326346
4-N-methyl-6-morpholin-4-ylpyrimidine-2,4-diamine
CID 80767642
4-(2-methyl-6-morpholin-4-ylpyrimidin-4-yl)-N-(2-methylphenyl)piperazine-1-carboxamide
CID 47001484
1-(2-methylphenyl)-3-[2-[(5-morpholin-4-ylpyridazin-3-yl)amino]ethyl]urea
CID 122321473
3-(2-tert-butylanilino)-N-(2-morpholin-4-ylphenyl)propanamide
CID 109037337
N-(2-methylphenyl)-2-morpholin-4-ylacetamide
CID 744983
1-(4-chlorophenyl)-3-[2-[(2-methyl-6-morpholin-4-ylpyrimidin-4-yl)amino]ethyl]urea
CID 121074997
N-[2-[(2-methyl-6-morpholin-4-ylpyrimidin-4-yl)amino]ethyl]acetamide
CID 70702870
2-(2,6-dimethylanilino)-N-(2-morpholin-4-ylphenyl)acetamide
CID 109007545

Frequently Asked Questions

What is the IUPAC name of 3-[(2-amino-6-morpholin-4-ylpyrimidin-4-yl)amino]-N-(2-methylphenyl)propanamide?
The IUPAC name of 3-[(2-amino-6-morpholin-4-ylpyrimidin-4-yl)amino]-N-(2-methylphenyl)propanamide (CID 50967882) is 3-[(2-amino-6-morpholin-4-ylpyrimidin-4-yl)amino]-N-(2-methylphenyl)propanamide.
What is the SMILES notation for 3-[(2-amino-6-morpholin-4-ylpyrimidin-4-yl)amino]-N-(2-methylphenyl)propanamide?
The canonical SMILES for 3-[(2-amino-6-morpholin-4-ylpyrimidin-4-yl)amino]-N-(2-methylphenyl)propanamide is Cc1ccccc1NC(=O)CCNc1cc(N2CCOCC2)nc(N)n1.
What is the InChIKey of 3-[(2-amino-6-morpholin-4-ylpyrimidin-4-yl)amino]-N-(2-methylphenyl)propanamide?
The InChIKey is AFXKDRLXYYPYOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N6O2/c1-13-4-2-3-5-14(13)21-17(25)6-7-20-15-12-16(23-18(19)22-15)24-8-10-26-11-9-24/h2-5,12H,6-11H2,1H3,(H,21,25)(H3,19,20,22,23).
What are the key properties of 3-[(2-amino-6-morpholin-4-ylpyrimidin-4-yl)amino]-N-(2-methylphenyl)propanamide?
3-[(2-amino-6-morpholin-4-ylpyrimidin-4-yl)amino]-N-(2-methylphenyl)propanamide has a molecular weight of 356.43 g/mol, XLogP of 1.64, 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-(2-methylphenyl)propanamide is sourced from PubChem (CID 50967882), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).