2-methyl-2-[4-morpholin-4-yl-2-(oxan-4-ylamino)pyrimidin-5-yl]propanoic acid

C17H26N4O4 — CID 72896026

IUPAC2-methyl-2-[4-morpholin-4-yl-2-(oxan-4-ylamino)pyrimidin-5-yl]propanoic acid
SMILESCC(C)(C(=O)O)c1cnc(NC2CCOCC2)nc1N1CCOCC1
InChIInChI=1S/C17H26N4O4/c1-17(2,15(22)23)13-11-18-16(19-12-3-7-24-8-4-12)20-14(13)21-5-9-25-10-6-21/h11-12H,3-10H2,1-2H3,(H,22,23)(H,18,19,20)
InChIKeyQDGVPUIVLABWDK-UHFFFAOYSA-N
MW350.42 g/mol
LogP1.27
Rot. Bonds5

About 2-methyl-2-[4-morpholin-4-yl-2-(oxan-4-ylamino)pyrimidin-5-yl]propanoic acid

2-methyl-2-[4-morpholin-4-yl-2-(oxan-4-ylamino)pyrimidin-5-yl]propanoic acid (PubChem CID 72896026) has the molecular formula C17H26N4O4 and a molecular weight of 350.42 g/mol. Its IUPAC name is 2-methyl-2-[4-morpholin-4-yl-2-(oxan-4-ylamino)pyrimidin-5-yl]propanoic acid.

Molecular Properties

Compound Name2-methyl-2-[4-morpholin-4-yl-2-(oxan-4-ylamino)pyrimidin-5-yl]propanoic acid
PubChem CID72896026
Molecular FormulaC17H26N4O4
Molecular Weight350.42 g/mol
Exact Mass350.20
IUPAC Name2-methyl-2-[4-morpholin-4-yl-2-(oxan-4-ylamino)pyrimidin-5-yl]propanoic acid
SMILESCC(C)(C(=O)O)c1cnc(NC2CCOCC2)nc1N1CCOCC1
InChIInChI=1S/C17H26N4O4/c1-17(2,15(22)23)13-11-18-16(19-12-3-7-24-8-4-12)20-14(13)21-5-9-25-10-6-21/h11-12H,3-10H2,1-2H3,(H,22,23)(H,18,19,20)
InChIKeyQDGVPUIVLABWDK-UHFFFAOYSA-N
XLogP1.27
TPSA96.81 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.42
LogP ≤ 51.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

2-methyl-2-[2-[[(3R)-1-methylpyrrolidin-3-yl]methylamino]-4-morpholin-4-ylpyrimidin-5-yl]propanoic acid
CID 97445783
2-[2-[(3-cyclopropylimidazol-4-yl)methylamino]-4-morpholin-4-ylpyrimidin-5-yl]-2-methylpropanoic acid
CID 72890381
2-[2-(2-ethylbutylamino)-4-morpholin-4-ylpyrimidin-5-yl]-2-methylpropanoic acid
CID 72889407
2-methyl-2-[2-[(1-methylpiperidin-3-yl)methylamino]-4-morpholin-4-ylpyrimidin-5-yl]propanoic acid
CID 72927407
2-methyl-2-[4-morpholin-4-yl-2-[2-(oxan-2-yl)ethylamino]pyrimidin-5-yl]propanoic acid
CID 72931590
2-methyl-2-[2-(4-methylpiperidin-1-yl)-4-morpholin-4-ylpyrimidin-5-yl]propanoic acid
CID 72851504
2-methyl-2-[2-[[(2S)-4-methylmorpholin-2-yl]methylamino]-4-morpholin-4-ylpyrimidin-5-yl]propanoic acid
CID 97435543
2-[2-[(2,5-dimethylphenyl)methylamino]-4-morpholin-4-ylpyrimidin-5-yl]-2-methylpropanoic acid
CID 72878730
2-methyl-2-[2-[[(1R)-1-(6-methyl-2-pyridinyl)ethyl]amino]-4-morpholin-4-ylpyrimidin-5-yl]propanoic acid
CID 97438348
2-methyl-2-[2-[methyl-[[(3S)-1-methylpyrrolidin-3-yl]methyl]amino]-4-morpholin-4-ylpyrimidin-5-yl]propanoic acid
CID 97434580
2-[2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-4-morpholin-4-ylpyrimidin-5-yl]-2-methylpropanoic acid
CID 72853871
2-[2-[4-(2-hydroxyethyl)piperidin-1-yl]-4-morpholin-4-ylpyrimidin-5-yl]-2-methylpropanoic acid
CID 72914341

Frequently Asked Questions

What is the IUPAC name of 2-methyl-2-[4-morpholin-4-yl-2-(oxan-4-ylamino)pyrimidin-5-yl]propanoic acid?
The IUPAC name of 2-methyl-2-[4-morpholin-4-yl-2-(oxan-4-ylamino)pyrimidin-5-yl]propanoic acid (CID 72896026) is 2-methyl-2-[4-morpholin-4-yl-2-(oxan-4-ylamino)pyrimidin-5-yl]propanoic acid.
What is the SMILES notation for 2-methyl-2-[4-morpholin-4-yl-2-(oxan-4-ylamino)pyrimidin-5-yl]propanoic acid?
The canonical SMILES for 2-methyl-2-[4-morpholin-4-yl-2-(oxan-4-ylamino)pyrimidin-5-yl]propanoic acid is CC(C)(C(=O)O)c1cnc(NC2CCOCC2)nc1N1CCOCC1.
What is the InChIKey of 2-methyl-2-[4-morpholin-4-yl-2-(oxan-4-ylamino)pyrimidin-5-yl]propanoic acid?
The InChIKey is QDGVPUIVLABWDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N4O4/c1-17(2,15(22)23)13-11-18-16(19-12-3-7-24-8-4-12)20-14(13)21-5-9-25-10-6-21/h11-12H,3-10H2,1-2H3,(H,22,23)(H,18,19,20).
What are the key properties of 2-methyl-2-[4-morpholin-4-yl-2-(oxan-4-ylamino)pyrimidin-5-yl]propanoic acid?
2-methyl-2-[4-morpholin-4-yl-2-(oxan-4-ylamino)pyrimidin-5-yl]propanoic acid has a molecular weight of 350.42 g/mol, XLogP of 1.27, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-2-[4-morpholin-4-yl-2-(oxan-4-ylamino)pyrimidin-5-yl]propanoic acid is sourced from PubChem (CID 72896026), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).