4-N-[3-(3,5-dimethyl-1,2-oxazol-4-yl)propyl]-2-N,2-N-dimethyl-6-propan-2-yl-1,3,5-triazine-2,4-diamine

C16H26N6O — CID 133419299

IUPAC4-N-[3-(3,5-dimethyl-1,2-oxazol-4-yl)propyl]-2-N,2-N-dimethyl-6-propan-2-yl-1,3,5-triazine-2,4-diamine
SMILESCc1noc(C)c1CCCNc1nc(C(C)C)nc(N(C)C)n1
InChIInChI=1S/C16H26N6O/c1-10(2)14-18-15(20-16(19-14)22(5)6)17-9-7-8-13-11(3)21-23-12(13)4/h10H,7-9H2,1-6H3,(H,17,18,19,20)
InChIKeyJMZMEKYPMGOAAT-UHFFFAOYSA-N
MW318.43 g/mol
LogP2.71
Rot. Bonds7

About 4-N-[3-(3,5-dimethyl-1,2-oxazol-4-yl)propyl]-2-N,2-N-dimethyl-6-propan-2-yl-1,3,5-triazine-2,4-diamine

4-N-[3-(3,5-dimethyl-1,2-oxazol-4-yl)propyl]-2-N,2-N-dimethyl-6-propan-2-yl-1,3,5-triazine-2,4-diamine (PubChem CID 133419299) has the molecular formula C16H26N6O and a molecular weight of 318.43 g/mol. Its IUPAC name is 4-N-[3-(3,5-dimethyl-1,2-oxazol-4-yl)propyl]-2-N,2-N-dimethyl-6-propan-2-yl-1,3,5-triazine-2,4-diamine.

Molecular Properties

Compound Name4-N-[3-(3,5-dimethyl-1,2-oxazol-4-yl)propyl]-2-N,2-N-dimethyl-6-propan-2-yl-1,3,5-triazine-2,4-diamine
PubChem CID133419299
Molecular FormulaC16H26N6O
Molecular Weight318.43 g/mol
Exact Mass318.22
IUPAC Name4-N-[3-(3,5-dimethyl-1,2-oxazol-4-yl)propyl]-2-N,2-N-dimethyl-6-propan-2-yl-1,3,5-triazine-2,4-diamine
SMILESCc1noc(C)c1CCCNc1nc(C(C)C)nc(N(C)C)n1
InChIInChI=1S/C16H26N6O/c1-10(2)14-18-15(20-16(19-14)22(5)6)17-9-7-8-13-11(3)21-23-12(13)4/h10H,7-9H2,1-6H3,(H,17,18,19,20)
InChIKeyJMZMEKYPMGOAAT-UHFFFAOYSA-N
XLogP2.71
TPSA79.97 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.43
LogP ≤ 52.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

Analyze 4-N-[3-(3,5-dimethyl-1,2-oxazol-4-yl)propyl]-2-N,2-N-dimethyl-6-propan-2-yl-1,3,5-triazine-2,4-diamine with MolForge

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Launch Full Analysis

Related Compounds

3-(3,5-dimethyl-1,2-oxazol-4-yl)-N-methylpropan-1-amine
CID 23006357
4-N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)propyl]-2-N,2-N-dimethyl-6-propan-2-yl-1,3,5-triazine-2,4-diamine
CID 133418508
N-[3-(3,5-dimethyl-1,2-oxazol-4-yl)propyl]-4-(trifluoromethyl)pyrimidin-2-amine
CID 133347428
4-N-[2-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-yl)ethyl]-2-N,2-N-dimethyl-6-propan-2-yl-1,3,5-triazine-2,4-diamine
CID 75470602
2-N,2-N-dimethyl-4-N-[(3-methyl-4-pyridinyl)methyl]-6-propan-2-yl-1,3,5-triazine-2,4-diamine
CID 133495534
N-[3-(3,5-dimethyl-1,2-oxazol-4-yl)propyl]-3-methylquinoxalin-2-amine
CID 133347501
N-(1-cyclopropylethyl)-3-(3,5-dimethyl-1,2-oxazol-4-yl)propan-1-amine
CID 115727487
4-(3,3-dimethylbutyl)-3,5-dimethyl-1,2-oxazole
CID 59539646
N-[2-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]butan-2-amine
CID 115718218
6-chloro-2-cyclopropyl-N-[3-(3,5-dimethyl-1,2-oxazol-4-yl)propyl]pyrimidin-4-amine
CID 133419292
4-N-[2,2-dimethyl-3-(oxan-4-yl)propyl]-2-N,2-N-dimethyl-6-propan-2-yl-1,3,5-triazine-2,4-diamine
CID 133420627
N-[3-(3,5-dimethyl-1,2-oxazol-4-yl)propyl]-1H-pyrrolo[2,3-b]pyridin-6-amine
CID 70730131

Frequently Asked Questions

What is the IUPAC name of 4-N-[3-(3,5-dimethyl-1,2-oxazol-4-yl)propyl]-2-N,2-N-dimethyl-6-propan-2-yl-1,3,5-triazine-2,4-diamine?
The IUPAC name of 4-N-[3-(3,5-dimethyl-1,2-oxazol-4-yl)propyl]-2-N,2-N-dimethyl-6-propan-2-yl-1,3,5-triazine-2,4-diamine (CID 133419299) is 4-N-[3-(3,5-dimethyl-1,2-oxazol-4-yl)propyl]-2-N,2-N-dimethyl-6-propan-2-yl-1,3,5-triazine-2,4-diamine.
What is the SMILES notation for 4-N-[3-(3,5-dimethyl-1,2-oxazol-4-yl)propyl]-2-N,2-N-dimethyl-6-propan-2-yl-1,3,5-triazine-2,4-diamine?
The canonical SMILES for 4-N-[3-(3,5-dimethyl-1,2-oxazol-4-yl)propyl]-2-N,2-N-dimethyl-6-propan-2-yl-1,3,5-triazine-2,4-diamine is Cc1noc(C)c1CCCNc1nc(C(C)C)nc(N(C)C)n1.
What is the InChIKey of 4-N-[3-(3,5-dimethyl-1,2-oxazol-4-yl)propyl]-2-N,2-N-dimethyl-6-propan-2-yl-1,3,5-triazine-2,4-diamine?
The InChIKey is JMZMEKYPMGOAAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N6O/c1-10(2)14-18-15(20-16(19-14)22(5)6)17-9-7-8-13-11(3)21-23-12(13)4/h10H,7-9H2,1-6H3,(H,17,18,19,20).
What are the key properties of 4-N-[3-(3,5-dimethyl-1,2-oxazol-4-yl)propyl]-2-N,2-N-dimethyl-6-propan-2-yl-1,3,5-triazine-2,4-diamine?
4-N-[3-(3,5-dimethyl-1,2-oxazol-4-yl)propyl]-2-N,2-N-dimethyl-6-propan-2-yl-1,3,5-triazine-2,4-diamine has a molecular weight of 318.43 g/mol, XLogP of 2.71, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-[3-(3,5-dimethyl-1,2-oxazol-4-yl)propyl]-2-N,2-N-dimethyl-6-propan-2-yl-1,3,5-triazine-2,4-diamine is sourced from PubChem (CID 133419299), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).