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

C20H26N6O3 — CID 95803559

IUPAC4-(3,5-dimethyl-1,2-oxazol-4-yl)-5-(3-methyl-1,2-oxazol-5-yl)-N-(3-morpholin-4-ylpropyl)pyrimidin-2-amine
SMILESCc1cc(-c2cnc(NCCCN3CCOCC3)nc2-c2c(C)noc2C)on1
InChIInChI=1S/C20H26N6O3/c1-13-11-17(29-24-13)16-12-22-20(21-5-4-6-26-7-9-27-10-8-26)23-19(16)18-14(2)25-28-15(18)3/h11-12H,4-10H2,1-3H3,(H,21,22,23)
InChIKeyXPRBIPVRNFTIIZ-UHFFFAOYSA-N
MW398.47 g/mol
LogP2.85
Rot. Bonds7

About 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

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 (PubChem CID 95803559) has the molecular formula C20H26N6O3 and a molecular weight of 398.47 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name4-(3,5-dimethyl-1,2-oxazol-4-yl)-5-(3-methyl-1,2-oxazol-5-yl)-N-(3-morpholin-4-ylpropyl)pyrimidin-2-amine
PubChem CID95803559
Molecular FormulaC20H26N6O3
Molecular Weight398.47 g/mol
Exact Mass398.21
IUPAC Name4-(3,5-dimethyl-1,2-oxazol-4-yl)-5-(3-methyl-1,2-oxazol-5-yl)-N-(3-morpholin-4-ylpropyl)pyrimidin-2-amine
SMILESCc1cc(-c2cnc(NCCCN3CCOCC3)nc2-c2c(C)noc2C)on1
InChIInChI=1S/C20H26N6O3/c1-13-11-17(29-24-13)16-12-22-20(21-5-4-6-26-7-9-27-10-8-26)23-19(16)18-14(2)25-28-15(18)3/h11-12H,4-10H2,1-3H3,(H,21,22,23)
InChIKeyXPRBIPVRNFTIIZ-UHFFFAOYSA-N
XLogP2.85
TPSA102.34 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.47
LogP ≤ 52.85
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

N-(3-methoxypropyl)-5-(3-methyl-1,2-oxazol-5-yl)-4-(6-morpholin-4-yl-3-pyridinyl)pyrimidin-2-amine
CID 92554712
4,5-bis(furan-2-yl)-N-(3-morpholin-4-ylpropyl)pyrimidin-2-amine
CID 92571097
4-(2-methylfuran-3-yl)-N-(3-morpholin-4-ylpropyl)-5-pyridin-4-ylpyrimidin-2-amine
CID 92606419
5-methyl-4-N-(3-morpholin-4-ylpropyl)-2-N-propylpyrimidine-2,4-diamine
CID 80773073
4-methyl-2-(3-morpholin-4-ylpropylamino)pyrimidine-5-carboxylic acid
CID 83182094
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
2-N-(3-morpholin-4-ylpropyl)pyrimidine-2,5-diamine
CID 24823423
4-amino-2-(3-morpholin-4-ylpropylamino)pyrimidine-5-carbonitrile
CID 146673965
N-(3-morpholin-4-ylpropyl)thieno[3,2-d]pyrimidin-2-amine
CID 91801780
N-(3-morpholin-4-ylpropyl)-5-pyridin-2-yl-4-thiophen-2-ylpyrimidin-2-amine
CID 92577605
5-(1,3-benzodioxol-5-yl)-N-(3-morpholin-4-ylpropyl)-4-(1,3-thiazol-2-yl)pyrimidin-2-amine
CID 92571988
6-methyl-2-(3-morpholin-4-ylpropylamino)pyrimidine-4-carbonitrile
CID 107543599

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is Cc1cc(-c2cnc(NCCCN3CCOCC3)nc2-c2c(C)noc2C)on1.
What is the InChIKey of 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?
The InChIKey is XPRBIPVRNFTIIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N6O3/c1-13-11-17(29-24-13)16-12-22-20(21-5-4-6-26-7-9-27-10-8-26)23-19(16)18-14(2)25-28-15(18)3/h11-12H,4-10H2,1-3H3,(H,21,22,23).
What are the key properties of 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?
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 has a molecular weight of 398.47 g/mol, XLogP of 2.85, 7 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 95803559), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).