2-N-(3-methyloxolan-3-yl)-1,3,5-triazine-2,4-diamine

C8H13N5O — CID 130532744

IUPAC2-N-(3-methyloxolan-3-yl)-1,3,5-triazine-2,4-diamine
SMILESCC1(Nc2ncnc(N)n2)CCOC1
InChIInChI=1S/C8H13N5O/c1-8(2-3-14-4-8)13-7-11-5-10-6(9)12-7/h5H,2-4H2,1H3,(H3,9,10,11,12,13)
InChIKeyUGEFIGCSVOKCQO-UHFFFAOYSA-N
MW195.23 g/mol
LogP0.04
Rot. Bonds2

About 2-N-(3-methyloxolan-3-yl)-1,3,5-triazine-2,4-diamine

2-N-(3-methyloxolan-3-yl)-1,3,5-triazine-2,4-diamine (PubChem CID 130532744) has the molecular formula C8H13N5O and a molecular weight of 195.23 g/mol. Its IUPAC name is 2-N-(3-methyloxolan-3-yl)-1,3,5-triazine-2,4-diamine.

Molecular Properties

Compound Name2-N-(3-methyloxolan-3-yl)-1,3,5-triazine-2,4-diamine
PubChem CID130532744
Molecular FormulaC8H13N5O
Molecular Weight195.23 g/mol
Exact Mass195.11
IUPAC Name2-N-(3-methyloxolan-3-yl)-1,3,5-triazine-2,4-diamine
SMILESCC1(Nc2ncnc(N)n2)CCOC1
InChIInChI=1S/C8H13N5O/c1-8(2-3-14-4-8)13-7-11-5-10-6(9)12-7/h5H,2-4H2,1H3,(H3,9,10,11,12,13)
InChIKeyUGEFIGCSVOKCQO-UHFFFAOYSA-N
XLogP0.04
TPSA85.95 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.23
LogP ≤ 50.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

5-ethyl-4-N-(3-methyloxan-3-yl)pyrimidine-4,6-diamine
CID 114114617
6-methyl-2-[(3-methyloxolan-3-yl)amino]pyrimidine-4-carbonitrile
CID 107545238
2-N-(3-methyloxolan-3-yl)-6-propan-2-yloxypyridine-2,5-diamine
CID 113481908
N-(3-methyloxolan-3-yl)pyrido[2,3-b]pyrazin-6-amine
CID 115766797
4-N-(3-methyloxan-3-yl)-1H-pyrazolo[5,4-d]pyrimidine-4,6-diamine
CID 114114614
[(3aS,4R,6R,6aR)-4-[(4-amino-1,3,5-triazin-2-yl)amino]-2,2-dimethyl-4,5,6,6a-tetrahydro-3aH-cyclopenta[d][1,3]dioxol-6-yl]methanol
CID 66806171
6-N-ethyl-2-methyl-4-N-(3-methyloxolan-3-yl)pyrimidine-4,6-diamine
CID 113482400
N-(3-methyloxolan-3-yl)-3-(trifluoromethyl)-1,2,4-thiadiazol-5-amine
CID 107305153
3-N-(3-methyloxolan-3-yl)-5-propoxybenzene-1,3-diamine
CID 113481924
ethyl 5-amino-2-[(3-methyloxolan-3-yl)amino]pyridine-4-carboxylate
CID 114090606
2-methyl-N-(3-methyloxolan-3-yl)quinazolin-4-amine
CID 118418826
4-bromo-2-methyl-5-[(3-methyloxolan-3-yl)amino]pyridazin-3-one
CID 114442459

Frequently Asked Questions

What is the IUPAC name of 2-N-(3-methyloxolan-3-yl)-1,3,5-triazine-2,4-diamine?
The IUPAC name of 2-N-(3-methyloxolan-3-yl)-1,3,5-triazine-2,4-diamine (CID 130532744) is 2-N-(3-methyloxolan-3-yl)-1,3,5-triazine-2,4-diamine.
What is the SMILES notation for 2-N-(3-methyloxolan-3-yl)-1,3,5-triazine-2,4-diamine?
The canonical SMILES for 2-N-(3-methyloxolan-3-yl)-1,3,5-triazine-2,4-diamine is CC1(Nc2ncnc(N)n2)CCOC1.
What is the InChIKey of 2-N-(3-methyloxolan-3-yl)-1,3,5-triazine-2,4-diamine?
The InChIKey is UGEFIGCSVOKCQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13N5O/c1-8(2-3-14-4-8)13-7-11-5-10-6(9)12-7/h5H,2-4H2,1H3,(H3,9,10,11,12,13).
What are the key properties of 2-N-(3-methyloxolan-3-yl)-1,3,5-triazine-2,4-diamine?
2-N-(3-methyloxolan-3-yl)-1,3,5-triazine-2,4-diamine has a molecular weight of 195.23 g/mol, XLogP of 0.04, 2 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-(3-methyloxolan-3-yl)-1,3,5-triazine-2,4-diamine is sourced from PubChem (CID 130532744), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).