6-chloro-2-N-(1-methoxybutan-2-yl)-1,3,5-triazine-2,4-diamine

C8H14ClN5O — CID 80837966

IUPAC6-chloro-2-N-(1-methoxybutan-2-yl)-1,3,5-triazine-2,4-diamine
SMILESCCC(COC)Nc1nc(N)nc(Cl)n1
InChIInChI=1S/C8H14ClN5O/c1-3-5(4-15-2)11-8-13-6(9)12-7(10)14-8/h5H,3-4H2,1-2H3,(H3,10,11,12,13,14)
InChIKeyBOQZUPYHTFSSMT-UHFFFAOYSA-N
MW231.69 g/mol
LogP0.94
Rot. Bonds5

About 6-chloro-2-N-(1-methoxybutan-2-yl)-1,3,5-triazine-2,4-diamine

6-chloro-2-N-(1-methoxybutan-2-yl)-1,3,5-triazine-2,4-diamine (PubChem CID 80837966) has the molecular formula C8H14ClN5O and a molecular weight of 231.69 g/mol. Its IUPAC name is 6-chloro-2-N-(1-methoxybutan-2-yl)-1,3,5-triazine-2,4-diamine.

Molecular Properties

Compound Name6-chloro-2-N-(1-methoxybutan-2-yl)-1,3,5-triazine-2,4-diamine
PubChem CID80837966
Molecular FormulaC8H14ClN5O
Molecular Weight231.69 g/mol
Exact Mass231.09
IUPAC Name6-chloro-2-N-(1-methoxybutan-2-yl)-1,3,5-triazine-2,4-diamine
SMILESCCC(COC)Nc1nc(N)nc(Cl)n1
InChIInChI=1S/C8H14ClN5O/c1-3-5(4-15-2)11-8-13-6(9)12-7(10)14-8/h5H,3-4H2,1-2H3,(H3,10,11,12,13,14)
InChIKeyBOQZUPYHTFSSMT-UHFFFAOYSA-N
XLogP0.94
TPSA85.95 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.69
LogP ≤ 50.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 6-chloro-2-N-(1-methoxybutan-2-yl)-1,3,5-triazine-2,4-diamine with MolForge

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Related Compounds

2-[(4-amino-6-chloro-1,3,5-triazin-2-yl)amino]butan-1-ol
CID 80779012
4-[(4-amino-6-chloro-1,3,5-triazin-2-yl)amino]-1-methoxybutan-2-ol
CID 106248647
2-[[4-chloro-6-(propylamino)-1,3,5-triazin-2-yl]amino]-3-methoxypropan-1-ol
CID 106198836
4,6-dichloro-N-hexan-3-yl-1,3,5-triazin-2-amine
CID 62869584
2-[[4-chloro-6-(1-hydroxybutan-2-ylamino)-1,3,5-triazin-2-yl]amino]butan-1-ol
CID 10708587
2-N-pentan-3-yl-6-propoxy-1,3,5-triazine-2,4-diamine
CID 80769885
6-chloro-2-N-(2,2-dimethoxyethyl)-1,3,5-triazine-2,4-diamine
CID 122714726
6-chloro-2-N-(1-cyclopropylethyl)-1,3,5-triazine-2,4-diamine
CID 80782289
3-N-(1-methoxybutan-2-yl)pyrazine-2,3-diamine
CID 102984478
5,6-diethyl-N-(1-methoxybutan-2-yl)-1,2,4-triazin-3-amine
CID 105362667
2-N-(1-methoxybutan-2-yl)-4-N-methyl-6-propoxy-1,3,5-triazine-2,4-diamine
CID 80837026
6-tert-butyl-2-N-pentan-3-yl-1,3,5-triazine-2,4-diamine
CID 112746139

Frequently Asked Questions

What is the IUPAC name of 6-chloro-2-N-(1-methoxybutan-2-yl)-1,3,5-triazine-2,4-diamine?
The IUPAC name of 6-chloro-2-N-(1-methoxybutan-2-yl)-1,3,5-triazine-2,4-diamine (CID 80837966) is 6-chloro-2-N-(1-methoxybutan-2-yl)-1,3,5-triazine-2,4-diamine.
What is the SMILES notation for 6-chloro-2-N-(1-methoxybutan-2-yl)-1,3,5-triazine-2,4-diamine?
The canonical SMILES for 6-chloro-2-N-(1-methoxybutan-2-yl)-1,3,5-triazine-2,4-diamine is CCC(COC)Nc1nc(N)nc(Cl)n1.
What is the InChIKey of 6-chloro-2-N-(1-methoxybutan-2-yl)-1,3,5-triazine-2,4-diamine?
The InChIKey is BOQZUPYHTFSSMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14ClN5O/c1-3-5(4-15-2)11-8-13-6(9)12-7(10)14-8/h5H,3-4H2,1-2H3,(H3,10,11,12,13,14).
What are the key properties of 6-chloro-2-N-(1-methoxybutan-2-yl)-1,3,5-triazine-2,4-diamine?
6-chloro-2-N-(1-methoxybutan-2-yl)-1,3,5-triazine-2,4-diamine has a molecular weight of 231.69 g/mol, XLogP of 0.94, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-2-N-(1-methoxybutan-2-yl)-1,3,5-triazine-2,4-diamine is sourced from PubChem (CID 80837966), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).