4-methoxy-N-propan-2-yl-1,3,5-triazin-2-amine

C7H12N4O — CID 70627353

IUPAC4-methoxy-N-propan-2-yl-1,3,5-triazin-2-amine
SMILESCOc1ncnc(NC(C)C)n1
InChIInChI=1S/C7H12N4O/c1-5(2)10-6-8-4-9-7(11-6)12-3/h4-5H,1-3H3,(H,8,9,10,11)
InChIKeySHJYIAPRFOJYKD-UHFFFAOYSA-N
MW168.20 g/mol
LogP0.70
Rot. Bonds3

About 4-methoxy-N-propan-2-yl-1,3,5-triazin-2-amine

4-methoxy-N-propan-2-yl-1,3,5-triazin-2-amine (PubChem CID 70627353) has the molecular formula C7H12N4O and a molecular weight of 168.20 g/mol. Its IUPAC name is 4-methoxy-N-propan-2-yl-1,3,5-triazin-2-amine.

Molecular Properties

Compound Name4-methoxy-N-propan-2-yl-1,3,5-triazin-2-amine
PubChem CID70627353
Molecular FormulaC7H12N4O
Molecular Weight168.20 g/mol
Exact Mass168.10
IUPAC Name4-methoxy-N-propan-2-yl-1,3,5-triazin-2-amine
SMILESCOc1ncnc(NC(C)C)n1
InChIInChI=1S/C7H12N4O/c1-5(2)10-6-8-4-9-7(11-6)12-3/h4-5H,1-3H3,(H,8,9,10,11)
InChIKeySHJYIAPRFOJYKD-UHFFFAOYSA-N
XLogP0.70
TPSA59.93 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.20
LogP ≤ 50.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

Prometon
CID 4928
Atraton
CID 15359
Secbumeton
CID 33443
Simeton
CID 12654
6-ethoxy-N2-ethyl-N4-(propan-2-yl)-1,3,5-triazine-2,4-diamine
CID 779529
6-Methoxy-N2-methyl-N4-(1-methylethyl)-1,3,5-triazine-2,4-diamine
CID 18212
2-Methoxy-4-isopropylamino-6-diethylamino-S-triazine
CID 18152
2-Amino-6-(isopropylamino)1,3,5-triazine
CID 186839
s-Triazine, 2-(ethylamino)-4-(isopropylamino)-
CID 6451759
[4-(Butan-2-ylamino)-6-methoxy-1,3,5-triazin-2-yl]methylcyanamide
CID 657554
2-N-ethyl-1,3,5-triazine-2,4-diamine
CID 35229
6-Ethoxy-N,N'-diisopropyl-[1,3,5]triazine-2,4-diamine
CID 35306

Frequently Asked Questions

What is the IUPAC name of 4-methoxy-N-propan-2-yl-1,3,5-triazin-2-amine?
The IUPAC name of 4-methoxy-N-propan-2-yl-1,3,5-triazin-2-amine (CID 70627353) is 4-methoxy-N-propan-2-yl-1,3,5-triazin-2-amine.
What is the SMILES notation for 4-methoxy-N-propan-2-yl-1,3,5-triazin-2-amine?
The canonical SMILES for 4-methoxy-N-propan-2-yl-1,3,5-triazin-2-amine is COc1ncnc(NC(C)C)n1.
What is the InChIKey of 4-methoxy-N-propan-2-yl-1,3,5-triazin-2-amine?
The InChIKey is SHJYIAPRFOJYKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12N4O/c1-5(2)10-6-8-4-9-7(11-6)12-3/h4-5H,1-3H3,(H,8,9,10,11).
What are the key properties of 4-methoxy-N-propan-2-yl-1,3,5-triazin-2-amine?
4-methoxy-N-propan-2-yl-1,3,5-triazin-2-amine has a molecular weight of 168.20 g/mol, XLogP of 0.70, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-N-propan-2-yl-1,3,5-triazin-2-amine is sourced from PubChem (CID 70627353), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).