4-N-methyl-2-N-(oxan-3-yl)-6-propan-2-yloxy-1,3,5-triazine-2,4-diamine

C12H21N5O2 — CID 80830426

IUPAC4-N-methyl-2-N-(oxan-3-yl)-6-propan-2-yloxy-1,3,5-triazine-2,4-diamine
SMILESCNc1nc(NC2CCCOC2)nc(OC(C)C)n1
InChIInChI=1S/C12H21N5O2/c1-8(2)19-12-16-10(13-3)15-11(17-12)14-9-5-4-6-18-7-9/h8-9H,4-7H2,1-3H3,(H2,13,14,15,16,17)
InChIKeyYKTNRYZCRPCIDT-UHFFFAOYSA-N
MW267.33 g/mol
LogP1.29
Rot. Bonds5

About 4-N-methyl-2-N-(oxan-3-yl)-6-propan-2-yloxy-1,3,5-triazine-2,4-diamine

4-N-methyl-2-N-(oxan-3-yl)-6-propan-2-yloxy-1,3,5-triazine-2,4-diamine (PubChem CID 80830426) has the molecular formula C12H21N5O2 and a molecular weight of 267.33 g/mol. Its IUPAC name is 4-N-methyl-2-N-(oxan-3-yl)-6-propan-2-yloxy-1,3,5-triazine-2,4-diamine.

Molecular Properties

Compound Name4-N-methyl-2-N-(oxan-3-yl)-6-propan-2-yloxy-1,3,5-triazine-2,4-diamine
PubChem CID80830426
Molecular FormulaC12H21N5O2
Molecular Weight267.33 g/mol
Exact Mass267.17
IUPAC Name4-N-methyl-2-N-(oxan-3-yl)-6-propan-2-yloxy-1,3,5-triazine-2,4-diamine
SMILESCNc1nc(NC2CCCOC2)nc(OC(C)C)n1
InChIInChI=1S/C12H21N5O2/c1-8(2)19-12-16-10(13-3)15-11(17-12)14-9-5-4-6-18-7-9/h8-9H,4-7H2,1-3H3,(H2,13,14,15,16,17)
InChIKeyYKTNRYZCRPCIDT-UHFFFAOYSA-N
XLogP1.29
TPSA81.19 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.33
LogP ≤ 51.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 4-N-methyl-2-N-(oxan-3-yl)-6-propan-2-yloxy-1,3,5-triazine-2,4-diamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-N-(4-ethylcyclohexyl)-4-N-methyl-6-propan-2-yloxy-1,3,5-triazine-2,4-diamine
CID 80782197
2-N,4-N-dimethyl-2-N-(oxan-3-ylmethyl)-6-propan-2-yloxy-1,3,5-triazine-2,4-diamine
CID 80818463
2-N-cyclobutyl-4-N-ethyl-6-propan-2-yloxy-1,3,5-triazine-2,4-diamine
CID 80826015
4-N-methyl-2-N-(7-oxabicyclo[2.2.1]heptan-2-yl)-6-propan-2-yloxy-1,3,5-triazine-2,4-diamine
CID 80853747
2-N-(2-cyclopentyloxyethyl)-4-N-methyl-6-propan-2-yloxy-1,3,5-triazine-2,4-diamine
CID 80820286
2-N-(oxan-3-yl)-6-propan-2-yloxypyridine-2,5-diamine
CID 63359972
2-N-cyclopropyl-6-propan-2-yloxy-1,3,5-triazine-2,4-diamine
CID 80765120
5,6-dimethyl-2-N,4-N-bis[(3R)-oxan-3-yl]pyrimidine-2,4-diamine
CID 136585045
4-N-methyl-6-morpholin-4-yl-2-N-(oxolan-3-yl)-1,3,5-triazine-2,4-diamine
CID 80853559
2-N-methyl-4-N-(oxan-3-yl)quinazoline-2,4-diamine
CID 80829880
3-N-(oxan-3-yl)-5-propan-2-yloxybenzene-1,3-diamine
CID 80734659
2-N-cyclohexyl-2-N,4-N-dimethyl-6-propan-2-yloxy-1,3,5-triazine-2,4-diamine
CID 80762337

Frequently Asked Questions

What is the IUPAC name of 4-N-methyl-2-N-(oxan-3-yl)-6-propan-2-yloxy-1,3,5-triazine-2,4-diamine?
The IUPAC name of 4-N-methyl-2-N-(oxan-3-yl)-6-propan-2-yloxy-1,3,5-triazine-2,4-diamine (CID 80830426) is 4-N-methyl-2-N-(oxan-3-yl)-6-propan-2-yloxy-1,3,5-triazine-2,4-diamine.
What is the SMILES notation for 4-N-methyl-2-N-(oxan-3-yl)-6-propan-2-yloxy-1,3,5-triazine-2,4-diamine?
The canonical SMILES for 4-N-methyl-2-N-(oxan-3-yl)-6-propan-2-yloxy-1,3,5-triazine-2,4-diamine is CNc1nc(NC2CCCOC2)nc(OC(C)C)n1.
What is the InChIKey of 4-N-methyl-2-N-(oxan-3-yl)-6-propan-2-yloxy-1,3,5-triazine-2,4-diamine?
The InChIKey is YKTNRYZCRPCIDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N5O2/c1-8(2)19-12-16-10(13-3)15-11(17-12)14-9-5-4-6-18-7-9/h8-9H,4-7H2,1-3H3,(H2,13,14,15,16,17).
What are the key properties of 4-N-methyl-2-N-(oxan-3-yl)-6-propan-2-yloxy-1,3,5-triazine-2,4-diamine?
4-N-methyl-2-N-(oxan-3-yl)-6-propan-2-yloxy-1,3,5-triazine-2,4-diamine has a molecular weight of 267.33 g/mol, XLogP of 1.29, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-methyl-2-N-(oxan-3-yl)-6-propan-2-yloxy-1,3,5-triazine-2,4-diamine is sourced from PubChem (CID 80830426), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).