4-methyl-6-(oxolan-3-yl)-1,3,5-triazin-2-amine

C8H12N4O — CID 65329516

IUPAC4-methyl-6-(oxolan-3-yl)-1,3,5-triazin-2-amine
SMILESCc1nc(N)nc(C2CCOC2)n1
InChIInChI=1S/C8H12N4O/c1-5-10-7(12-8(9)11-5)6-2-3-13-4-6/h6H,2-4H2,1H3,(H2,9,10,11,12)
InChIKeyZSBZBDMQEHBNOL-UHFFFAOYSA-N
MW180.21 g/mol
LogP0.27
Rot. Bonds1

About 4-methyl-6-(oxolan-3-yl)-1,3,5-triazin-2-amine

4-methyl-6-(oxolan-3-yl)-1,3,5-triazin-2-amine (PubChem CID 65329516) has the molecular formula C8H12N4O and a molecular weight of 180.21 g/mol. Its IUPAC name is 4-methyl-6-(oxolan-3-yl)-1,3,5-triazin-2-amine.

Molecular Properties

Compound Name4-methyl-6-(oxolan-3-yl)-1,3,5-triazin-2-amine
PubChem CID65329516
Molecular FormulaC8H12N4O
Molecular Weight180.21 g/mol
Exact Mass180.10
IUPAC Name4-methyl-6-(oxolan-3-yl)-1,3,5-triazin-2-amine
SMILESCc1nc(N)nc(C2CCOC2)n1
InChIInChI=1S/C8H12N4O/c1-5-10-7(12-8(9)11-5)6-2-3-13-4-6/h6H,2-4H2,1H3,(H2,9,10,11,12)
InChIKeyZSBZBDMQEHBNOL-UHFFFAOYSA-N
XLogP0.27
TPSA73.92 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.21
LogP ≤ 50.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

6-[[ethyl(oxolan-3-ylmethyl)amino]methyl]-2-N,2-N-dimethyl-1,3,5-triazine-2,4-diamine
CID 71859909
4-Propan-2-yl-6-[2-(2,2,2-trifluoroethoxy)ethyl]-1,3,5-triazin-2-amine
CID 103151158
6-(2-Propoxyethyl)-1,3,5-triazine-2,4-diamine
CID 56629352
6-(2-Butoxyethyl)-1,3,5-triazine-2,4-diamine
CID 56637724
4-(Oxolan-3-yl)-1,3,5-triazin-2-amine
CID 65329517
6-(Oxan-4-yl)-1,3,5-triazine-2,4-diamine
CID 112681329
6-(Oxolan-3-yl)-1,3,5-triazine-2,4-diamine
CID 112681588
6-(3-Propoxypropyl)-1,3,5-triazine-2,4-diamine
CID 139924464
4-(Oxolan-2-ylmethyl)-6-propan-2-yl-1,3,5-triazin-2-amine
CID 63866982
4-Cyclopropyl-6-(2-methoxyethyl)-1,3,5-triazin-2-amine
CID 63867146
4-Tert-butyl-6-(2-methoxyethyl)-1,3,5-triazin-2-amine
CID 63867906
4-Ethyl-6-(2-methoxyethyl)-1,3,5-triazin-2-amine
CID 63868173

Frequently Asked Questions

What is the IUPAC name of 4-methyl-6-(oxolan-3-yl)-1,3,5-triazin-2-amine?
The IUPAC name of 4-methyl-6-(oxolan-3-yl)-1,3,5-triazin-2-amine (CID 65329516) is 4-methyl-6-(oxolan-3-yl)-1,3,5-triazin-2-amine.
What is the SMILES notation for 4-methyl-6-(oxolan-3-yl)-1,3,5-triazin-2-amine?
The canonical SMILES for 4-methyl-6-(oxolan-3-yl)-1,3,5-triazin-2-amine is Cc1nc(N)nc(C2CCOC2)n1.
What is the InChIKey of 4-methyl-6-(oxolan-3-yl)-1,3,5-triazin-2-amine?
The InChIKey is ZSBZBDMQEHBNOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12N4O/c1-5-10-7(12-8(9)11-5)6-2-3-13-4-6/h6H,2-4H2,1H3,(H2,9,10,11,12).
What are the key properties of 4-methyl-6-(oxolan-3-yl)-1,3,5-triazin-2-amine?
4-methyl-6-(oxolan-3-yl)-1,3,5-triazin-2-amine has a molecular weight of 180.21 g/mol, XLogP of 0.27, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-6-(oxolan-3-yl)-1,3,5-triazin-2-amine is sourced from PubChem (CID 65329516), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).