2-[[4-chloro-6-(dimethylamino)-1,3,5-triazin-2-yl]amino]propan-1-ol

C8H14ClN5O — CID 62865255

IUPAC2-[[4-chloro-6-(dimethylamino)-1,3,5-triazin-2-yl]amino]propan-1-ol
SMILESCC(CO)Nc1nc(Cl)nc(N(C)C)n1
InChIInChI=1S/C8H14ClN5O/c1-5(4-15)10-7-11-6(9)12-8(13-7)14(2)3/h5,15H,4H2,1-3H3,(H,10,11,12,13)
InChIKeyTVHLOCMQGWTTKD-UHFFFAOYSA-N
MW231.69 g/mol
LogP0.38
Rot. Bonds4

About 2-[[4-chloro-6-(dimethylamino)-1,3,5-triazin-2-yl]amino]propan-1-ol

2-[[4-chloro-6-(dimethylamino)-1,3,5-triazin-2-yl]amino]propan-1-ol (PubChem CID 62865255) has the molecular formula C8H14ClN5O and a molecular weight of 231.69 g/mol. Its IUPAC name is 2-[[4-chloro-6-(dimethylamino)-1,3,5-triazin-2-yl]amino]propan-1-ol.

Molecular Properties

Compound Name2-[[4-chloro-6-(dimethylamino)-1,3,5-triazin-2-yl]amino]propan-1-ol
PubChem CID62865255
Molecular FormulaC8H14ClN5O
Molecular Weight231.69 g/mol
Exact Mass231.09
IUPAC Name2-[[4-chloro-6-(dimethylamino)-1,3,5-triazin-2-yl]amino]propan-1-ol
SMILESCC(CO)Nc1nc(Cl)nc(N(C)C)n1
InChIInChI=1S/C8H14ClN5O/c1-5(4-15)10-7-11-6(9)12-8(13-7)14(2)3/h5,15H,4H2,1-3H3,(H,10,11,12,13)
InChIKeyTVHLOCMQGWTTKD-UHFFFAOYSA-N
XLogP0.38
TPSA74.17 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.69
LogP ≤ 50.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

2-[[4-(dimethylamino)-6-(ethylamino)-1,3,5-triazin-2-yl]amino]propan-1-ol
CID 80780226
4-N-but-3-en-2-yl-6-chloro-2-N,2-N-dimethyl-1,3,5-triazine-2,4-diamine
CID 106195710
6-chloro-2-N,2-N-dimethyl-4-N-(2-methylpropyl)-1,3,5-triazine-2,4-diamine
CID 62869363
2-[(4-chloro-6-ethoxy-1,3,5-triazin-2-yl)amino]propan-1-ol
CID 62857388
2-N-(4,6-dichloro-1,3,5-triazin-2-yl)-1-N,1-N-dimethylpropane-1,2-diamine
CID 82950213
2-[[4-chloro-6-(diethylamino)-1,3,5-triazin-2-yl]amino]-3-methylbutan-1-ol
CID 79246600
1-[4-chloro-6-(dimethylamino)-1,3,5-triazin-2-yl]-3-ethylthiourea
CID 71444417
6-chloro-2-N,2-N-dimethyl-4-N-(1-thiophen-2-ylethyl)-1,3,5-triazine-2,4-diamine
CID 62863344
6-chloro-4-N-[1-(2,4-dichlorophenyl)ethyl]-2-N,2-N-dimethyl-1,3,5-triazine-2,4-diamine
CID 62869021
6-chloro-2-N,2-N-dimethyl-4-N-[1-(1H-pyrazol-4-yl)ethyl]-1,3,5-triazine-2,4-diamine
CID 106214411
6-chloro-4-N-(2,2-dimethoxyethyl)-2-N,2-N-dimethyl-1,3,5-triazine-2,4-diamine
CID 106197149
2-[[4-amino-6-(1-hydroxypropan-2-ylamino)-1,3,5-triazin-2-yl]amino]propan-1-ol
CID 68938423

Frequently Asked Questions

What is the IUPAC name of 2-[[4-chloro-6-(dimethylamino)-1,3,5-triazin-2-yl]amino]propan-1-ol?
The IUPAC name of 2-[[4-chloro-6-(dimethylamino)-1,3,5-triazin-2-yl]amino]propan-1-ol (CID 62865255) is 2-[[4-chloro-6-(dimethylamino)-1,3,5-triazin-2-yl]amino]propan-1-ol.
What is the SMILES notation for 2-[[4-chloro-6-(dimethylamino)-1,3,5-triazin-2-yl]amino]propan-1-ol?
The canonical SMILES for 2-[[4-chloro-6-(dimethylamino)-1,3,5-triazin-2-yl]amino]propan-1-ol is CC(CO)Nc1nc(Cl)nc(N(C)C)n1.
What is the InChIKey of 2-[[4-chloro-6-(dimethylamino)-1,3,5-triazin-2-yl]amino]propan-1-ol?
The InChIKey is TVHLOCMQGWTTKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14ClN5O/c1-5(4-15)10-7-11-6(9)12-8(13-7)14(2)3/h5,15H,4H2,1-3H3,(H,10,11,12,13).
What are the key properties of 2-[[4-chloro-6-(dimethylamino)-1,3,5-triazin-2-yl]amino]propan-1-ol?
2-[[4-chloro-6-(dimethylamino)-1,3,5-triazin-2-yl]amino]propan-1-ol has a molecular weight of 231.69 g/mol, XLogP of 0.38, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[4-chloro-6-(dimethylamino)-1,3,5-triazin-2-yl]amino]propan-1-ol is sourced from PubChem (CID 62865255), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).