4-methoxy-6-propan-2-yl-1,3,5-triazin-2-amine

C7H12N4O — CID 2726590

IUPAC4-methoxy-6-propan-2-yl-1,3,5-triazin-2-amine
SMILESCOc1nc(N)nc(C(C)C)n1
InChIInChI=1S/C7H12N4O/c1-4(2)5-9-6(8)11-7(10-5)12-3/h4H,1-3H3,(H2,8,9,10,11)
InChIKeyXCULMHOQTRDWSI-UHFFFAOYSA-N
MW168.20 g/mol
LogP0.59
Rot. Bonds2

About 4-methoxy-6-propan-2-yl-1,3,5-triazin-2-amine

4-methoxy-6-propan-2-yl-1,3,5-triazin-2-amine (PubChem CID 2726590) has the molecular formula C7H12N4O and a molecular weight of 168.20 g/mol. Its IUPAC name is 4-methoxy-6-propan-2-yl-1,3,5-triazin-2-amine.

Molecular Properties

Compound Name4-methoxy-6-propan-2-yl-1,3,5-triazin-2-amine
PubChem CID2726590
Molecular FormulaC7H12N4O
Molecular Weight168.20 g/mol
Exact Mass168.10
IUPAC Name4-methoxy-6-propan-2-yl-1,3,5-triazin-2-amine
SMILESCOc1nc(N)nc(C(C)C)n1
InChIInChI=1S/C7H12N4O/c1-4(2)5-9-6(8)11-7(10-5)12-3/h4H,1-3H3,(H2,8,9,10,11)
InChIKeyXCULMHOQTRDWSI-UHFFFAOYSA-N
XLogP0.59
TPSA73.92 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.20
LogP ≤ 50.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Launch Full Analysis

Related Compounds

2-Amino-4-methoxy-6-methyl-1,3,5-triazine
CID 15466
4-Ethyl-6-methoxy-N-methyl-1,3,5-triazin-2-amine
CID 199901
4-Ethoxy-6-methyl-1,3,5-triazin-2-amine
CID 77490
6-(1-Methylethyl)-1,3,5-triazine-2,4-diamine
CID 21498
4-Ethyl-6-methoxy-1,3,5-triazin-2-amine
CID 69701
6-Ethyl-1,3,5-triazine-2,4-diamine
CID 13628
6-Propyl-1,3,5-triazine-2,4-diamine
CID 22252
4-Cyclopropyl-6-methoxy-1,3,5-triazin-2-amine
CID 2726591
N,4-Diethyl-6-methoxy-1,3,5-triazin-2-amine
CID 21313
1,3,5-Triazin-2-amine, 4-ethoxy-6-ethyl-
CID 121205
1,3,5-Triazin-2-amine, 4-methoxy-6-propyl-
CID 199263
6-Cyclopropyl-1,3,5-triazine-2,4(1H,3H)-diimine
CID 212661

Frequently Asked Questions

What is the IUPAC name of 4-methoxy-6-propan-2-yl-1,3,5-triazin-2-amine?
The IUPAC name of 4-methoxy-6-propan-2-yl-1,3,5-triazin-2-amine (CID 2726590) is 4-methoxy-6-propan-2-yl-1,3,5-triazin-2-amine.
What is the SMILES notation for 4-methoxy-6-propan-2-yl-1,3,5-triazin-2-amine?
The canonical SMILES for 4-methoxy-6-propan-2-yl-1,3,5-triazin-2-amine is COc1nc(N)nc(C(C)C)n1.
What is the InChIKey of 4-methoxy-6-propan-2-yl-1,3,5-triazin-2-amine?
The InChIKey is XCULMHOQTRDWSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12N4O/c1-4(2)5-9-6(8)11-7(10-5)12-3/h4H,1-3H3,(H2,8,9,10,11).
What are the key properties of 4-methoxy-6-propan-2-yl-1,3,5-triazin-2-amine?
4-methoxy-6-propan-2-yl-1,3,5-triazin-2-amine has a molecular weight of 168.20 g/mol, XLogP of 0.59, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-6-propan-2-yl-1,3,5-triazin-2-amine is sourced from PubChem (CID 2726590), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).