N-(3-methoxypropyl)-5-(3-methyl-1,2-oxazol-5-yl)-4-(6-morpholin-4-yl-3-pyridinyl)pyrimidin-2-amine

C21H26N6O3 — CID 92554712

IUPACN-(3-methoxypropyl)-5-(3-methyl-1,2-oxazol-5-yl)-4-(6-morpholin-4-yl-3-pyridinyl)pyrimidin-2-amine
SMILESCOCCCNc1ncc(-c2cc(C)no2)c(-c2ccc(N3CCOCC3)nc2)n1
InChIInChI=1S/C21H26N6O3/c1-15-12-18(30-26-15)17-14-24-21(22-6-3-9-28-2)25-20(17)16-4-5-19(23-13-16)27-7-10-29-11-8-27/h4-5,12-14H,3,6-11H2,1-2H3,(H,22,24,25)
InChIKeyDZPLIEUTGUMNMY-UHFFFAOYSA-N
MW410.48 g/mol
LogP2.79
Rot. Bonds8

About N-(3-methoxypropyl)-5-(3-methyl-1,2-oxazol-5-yl)-4-(6-morpholin-4-yl-3-pyridinyl)pyrimidin-2-amine

N-(3-methoxypropyl)-5-(3-methyl-1,2-oxazol-5-yl)-4-(6-morpholin-4-yl-3-pyridinyl)pyrimidin-2-amine (PubChem CID 92554712) has the molecular formula C21H26N6O3 and a molecular weight of 410.48 g/mol. Its IUPAC name is N-(3-methoxypropyl)-5-(3-methyl-1,2-oxazol-5-yl)-4-(6-morpholin-4-yl-3-pyridinyl)pyrimidin-2-amine.

Molecular Properties

Compound NameN-(3-methoxypropyl)-5-(3-methyl-1,2-oxazol-5-yl)-4-(6-morpholin-4-yl-3-pyridinyl)pyrimidin-2-amine
PubChem CID92554712
Molecular FormulaC21H26N6O3
Molecular Weight410.48 g/mol
Exact Mass410.21
IUPAC NameN-(3-methoxypropyl)-5-(3-methyl-1,2-oxazol-5-yl)-4-(6-morpholin-4-yl-3-pyridinyl)pyrimidin-2-amine
SMILESCOCCCNc1ncc(-c2cc(C)no2)c(-c2ccc(N3CCOCC3)nc2)n1
InChIInChI=1S/C21H26N6O3/c1-15-12-18(30-26-15)17-14-24-21(22-6-3-9-28-2)25-20(17)16-4-5-19(23-13-16)27-7-10-29-11-8-27/h4-5,12-14H,3,6-11H2,1-2H3,(H,22,24,25)
InChIKeyDZPLIEUTGUMNMY-UHFFFAOYSA-N
XLogP2.79
TPSA98.43 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.48
LogP ≤ 52.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

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

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Related Compounds

5-(3-methyl-1,2-oxazol-5-yl)-4-(6-morpholin-4-yl-3-pyridinyl)-N-propan-2-ylpyrimidin-2-amine
CID 92554710
4-[5-[5-(3-methyl-1,2-oxazol-5-yl)pyrimidin-4-yl]-2-pyridinyl]morpholine
CID 46981766
N-(2-methoxyethyl)-5-(3-methyl-1,2-oxazol-5-yl)-4-pyridin-4-ylpyrimidin-2-amine
CID 95803036
1-[4-[5-(3-methyl-1,2-oxazol-5-yl)-4-(6-morpholin-4-yl-3-pyridinyl)pyrimidin-2-yl]piperazin-1-yl]ethanone
CID 92554706
4-(3,5-dimethyl-1,2-oxazol-4-yl)-5-(3-methyl-1,2-oxazol-5-yl)-N-(3-morpholin-4-ylpropyl)pyrimidin-2-amine
CID 95803559
1-[3-[[4-(5-methylfuran-2-yl)-5-(3-methyl-1,2-oxazol-5-yl)pyrimidin-2-yl]amino]propyl]pyrrolidin-2-one
CID 95801062
N-[2-(4-methoxyphenoxy)ethyl]-4-methyl-6-morpholin-4-ylpyrimidin-2-amine
CID 112912114
5-[6-[4-(2-methoxyethyl)piperazin-1-yl]-3-pyridinyl]-3-methyl-1,2,4-oxadiazole
CID 136528451
4-[5-[5-[5-fluoro-6-(2-methoxyethoxy)-1H-indazol-3-yl]-1,2-oxazol-3-yl]-2-pyridinyl]morpholine
CID 154679547
N-(3-methoxypropyl)-1-methyl-4-morpholin-4-ylpyrazolo[5,4-d]pyrimidin-6-amine
CID 50795256
N-butyl-6-morpholin-4-ylpyridin-3-amine
CID 43724794
4-[2-(2-methoxyethylamino)-5-(2-morpholin-4-yl-4-pyridinyl)pyrrolo[2,1-f][1,2,4]triazin-7-yl]cyclohexan-1-ol
CID 155178724

Frequently Asked Questions

What is the IUPAC name of N-(3-methoxypropyl)-5-(3-methyl-1,2-oxazol-5-yl)-4-(6-morpholin-4-yl-3-pyridinyl)pyrimidin-2-amine?
The IUPAC name of N-(3-methoxypropyl)-5-(3-methyl-1,2-oxazol-5-yl)-4-(6-morpholin-4-yl-3-pyridinyl)pyrimidin-2-amine (CID 92554712) is N-(3-methoxypropyl)-5-(3-methyl-1,2-oxazol-5-yl)-4-(6-morpholin-4-yl-3-pyridinyl)pyrimidin-2-amine.
What is the SMILES notation for N-(3-methoxypropyl)-5-(3-methyl-1,2-oxazol-5-yl)-4-(6-morpholin-4-yl-3-pyridinyl)pyrimidin-2-amine?
The canonical SMILES for N-(3-methoxypropyl)-5-(3-methyl-1,2-oxazol-5-yl)-4-(6-morpholin-4-yl-3-pyridinyl)pyrimidin-2-amine is COCCCNc1ncc(-c2cc(C)no2)c(-c2ccc(N3CCOCC3)nc2)n1.
What is the InChIKey of N-(3-methoxypropyl)-5-(3-methyl-1,2-oxazol-5-yl)-4-(6-morpholin-4-yl-3-pyridinyl)pyrimidin-2-amine?
The InChIKey is DZPLIEUTGUMNMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N6O3/c1-15-12-18(30-26-15)17-14-24-21(22-6-3-9-28-2)25-20(17)16-4-5-19(23-13-16)27-7-10-29-11-8-27/h4-5,12-14H,3,6-11H2,1-2H3,(H,22,24,25).
What are the key properties of N-(3-methoxypropyl)-5-(3-methyl-1,2-oxazol-5-yl)-4-(6-morpholin-4-yl-3-pyridinyl)pyrimidin-2-amine?
N-(3-methoxypropyl)-5-(3-methyl-1,2-oxazol-5-yl)-4-(6-morpholin-4-yl-3-pyridinyl)pyrimidin-2-amine has a molecular weight of 410.48 g/mol, XLogP of 2.79, 8 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methoxypropyl)-5-(3-methyl-1,2-oxazol-5-yl)-4-(6-morpholin-4-yl-3-pyridinyl)pyrimidin-2-amine is sourced from PubChem (CID 92554712), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).