2-N-(cyclobutylmethyl)-6-methoxy-4-N-propyl-1,3,5-triazine-2,4-diamine

C12H21N5O — CID 80782877

IUPAC2-N-(cyclobutylmethyl)-6-methoxy-4-N-propyl-1,3,5-triazine-2,4-diamine
SMILESCCCNc1nc(NCC2CCC2)nc(OC)n1
InChIInChI=1S/C12H21N5O/c1-3-7-13-10-15-11(17-12(16-10)18-2)14-8-9-5-4-6-9/h9H,3-8H2,1-2H3,(H2,13,14,15,16,17)
InChIKeyCRPJAVNCTVXSED-UHFFFAOYSA-N
MW251.33 g/mol
LogP1.91
Rot. Bonds7

About 2-N-(cyclobutylmethyl)-6-methoxy-4-N-propyl-1,3,5-triazine-2,4-diamine

2-N-(cyclobutylmethyl)-6-methoxy-4-N-propyl-1,3,5-triazine-2,4-diamine (PubChem CID 80782877) has the molecular formula C12H21N5O and a molecular weight of 251.33 g/mol. Its IUPAC name is 2-N-(cyclobutylmethyl)-6-methoxy-4-N-propyl-1,3,5-triazine-2,4-diamine.

Molecular Properties

Compound Name2-N-(cyclobutylmethyl)-6-methoxy-4-N-propyl-1,3,5-triazine-2,4-diamine
PubChem CID80782877
Molecular FormulaC12H21N5O
Molecular Weight251.33 g/mol
Exact Mass251.17
IUPAC Name2-N-(cyclobutylmethyl)-6-methoxy-4-N-propyl-1,3,5-triazine-2,4-diamine
SMILESCCCNc1nc(NCC2CCC2)nc(OC)n1
InChIInChI=1S/C12H21N5O/c1-3-7-13-10-15-11(17-12(16-10)18-2)14-8-9-5-4-6-9/h9H,3-8H2,1-2H3,(H2,13,14,15,16,17)
InChIKeyCRPJAVNCTVXSED-UHFFFAOYSA-N
XLogP1.91
TPSA71.96 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.33
LogP ≤ 51.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

2-N-(cyclopentylmethyl)-4-N-ethyl-6-methoxy-1,3,5-triazine-2,4-diamine
CID 80783826
2-N-(cyclohexylmethyl)-6-ethoxy-4-N-propyl-1,3,5-triazine-2,4-diamine
CID 80771500
3-[[[4-(ethylamino)-6-methoxy-1,3,5-triazin-2-yl]amino]methyl]cyclohexan-1-ol
CID 106138427
4,6-dimethoxy-N-[(3-methylcyclohexyl)methyl]-1,3,5-triazin-2-amine
CID 103702732
2-N-(2,2-dimethylcyclohexyl)-6-methoxy-4-N-propyl-1,3,5-triazine-2,4-diamine
CID 80836617
3-[[(4-hydrazinyl-6-methoxy-1,3,5-triazin-2-yl)amino]methyl]cyclohexan-1-ol
CID 106138779
6-methoxy-2-N-[(1-methylcyclopentyl)methyl]-4-N-propyl-1,3,5-triazine-2,4-diamine
CID 80846170
2-N-(cyclopropylmethyl)-2-N-ethyl-6-methoxy-4-N-propyl-1,3,5-triazine-2,4-diamine
CID 80839849
2-[cyclobutyl-[4-methoxy-6-(propylamino)-1,3,5-triazin-2-yl]amino]ethanol
CID 102875727
4-(2-cyclobutylethoxy)-6-propoxy-N-propyl-1,3,5-triazin-2-amine
CID 106207720
6-propoxy-4-N-propyl-2-N-(thiolan-3-ylmethyl)-1,3,5-triazine-2,4-diamine
CID 107298768
[1-[4-methoxy-6-(propylamino)-1,3,5-triazin-2-yl]piperidin-4-yl]methanol
CID 80757527

Frequently Asked Questions

What is the IUPAC name of 2-N-(cyclobutylmethyl)-6-methoxy-4-N-propyl-1,3,5-triazine-2,4-diamine?
The IUPAC name of 2-N-(cyclobutylmethyl)-6-methoxy-4-N-propyl-1,3,5-triazine-2,4-diamine (CID 80782877) is 2-N-(cyclobutylmethyl)-6-methoxy-4-N-propyl-1,3,5-triazine-2,4-diamine.
What is the SMILES notation for 2-N-(cyclobutylmethyl)-6-methoxy-4-N-propyl-1,3,5-triazine-2,4-diamine?
The canonical SMILES for 2-N-(cyclobutylmethyl)-6-methoxy-4-N-propyl-1,3,5-triazine-2,4-diamine is CCCNc1nc(NCC2CCC2)nc(OC)n1.
What is the InChIKey of 2-N-(cyclobutylmethyl)-6-methoxy-4-N-propyl-1,3,5-triazine-2,4-diamine?
The InChIKey is CRPJAVNCTVXSED-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N5O/c1-3-7-13-10-15-11(17-12(16-10)18-2)14-8-9-5-4-6-9/h9H,3-8H2,1-2H3,(H2,13,14,15,16,17).
What are the key properties of 2-N-(cyclobutylmethyl)-6-methoxy-4-N-propyl-1,3,5-triazine-2,4-diamine?
2-N-(cyclobutylmethyl)-6-methoxy-4-N-propyl-1,3,5-triazine-2,4-diamine has a molecular weight of 251.33 g/mol, XLogP of 1.91, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-(cyclobutylmethyl)-6-methoxy-4-N-propyl-1,3,5-triazine-2,4-diamine is sourced from PubChem (CID 80782877), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).