2-[1-[[(4-amino-6-chloro-1,3,5-triazin-2-yl)amino]methyl]cyclopropyl]ethanol

C9H14ClN5O — CID 114759634

IUPAC2-[1-[[(4-amino-6-chloro-1,3,5-triazin-2-yl)amino]methyl]cyclopropyl]ethanol
SMILESNc1nc(Cl)nc(NCC2(CCO)CC2)n1
InChIInChI=1S/C9H14ClN5O/c10-6-13-7(11)15-8(14-6)12-5-9(1-2-9)3-4-16/h16H,1-5H2,(H3,11,12,13,14,15)
InChIKeyCSIKLULZMMRLTL-UHFFFAOYSA-N
MW243.70 g/mol
LogP0.68
Rot. Bonds5

About 2-[1-[[(4-amino-6-chloro-1,3,5-triazin-2-yl)amino]methyl]cyclopropyl]ethanol

2-[1-[[(4-amino-6-chloro-1,3,5-triazin-2-yl)amino]methyl]cyclopropyl]ethanol (PubChem CID 114759634) has the molecular formula C9H14ClN5O and a molecular weight of 243.70 g/mol. Its IUPAC name is 2-[1-[[(4-amino-6-chloro-1,3,5-triazin-2-yl)amino]methyl]cyclopropyl]ethanol.

Molecular Properties

Compound Name2-[1-[[(4-amino-6-chloro-1,3,5-triazin-2-yl)amino]methyl]cyclopropyl]ethanol
PubChem CID114759634
Molecular FormulaC9H14ClN5O
Molecular Weight243.70 g/mol
Exact Mass243.09
IUPAC Name2-[1-[[(4-amino-6-chloro-1,3,5-triazin-2-yl)amino]methyl]cyclopropyl]ethanol
SMILESNc1nc(Cl)nc(NCC2(CCO)CC2)n1
InChIInChI=1S/C9H14ClN5O/c10-6-13-7(11)15-8(14-6)12-5-9(1-2-9)3-4-16/h16H,1-5H2,(H3,11,12,13,14,15)
InChIKeyCSIKLULZMMRLTL-UHFFFAOYSA-N
XLogP0.68
TPSA96.95 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.70
LogP ≤ 50.68
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze 2-[1-[[(4-amino-6-chloro-1,3,5-triazin-2-yl)amino]methyl]cyclopropyl]ethanol with MolForge

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Related Compounds

2-[1-[[(4-chloro-6-pyrrolidin-1-yl-1,3,5-triazin-2-yl)amino]methyl]cyclopropyl]ethanol
CID 114757195
2-[1-[[[4-chloro-6-(diethylamino)-1,3,5-triazin-2-yl]amino]methyl]cyclopropyl]ethanol
CID 114757220
1-[[(4-amino-6-chloro-1,3,5-triazin-2-yl)amino]methyl]cyclopentan-1-ol
CID 80843196
2-[1-[[(4,6-dimethoxy-1,3,5-triazin-2-yl)amino]methyl]cyclopropyl]ethanol
CID 114749654
6-chloro-2-N-[[1-(dimethylamino)cyclobutyl]methyl]-1,3,5-triazine-2,4-diamine
CID 105420861
6-[(4-amino-6-chloro-1,3,5-triazin-2-yl)amino]hexan-1-ol
CID 107855348
5-chloro-N-[[1-(2-chloroethyl)cyclopropyl]methyl]pyrimidin-2-amine
CID 114757745
2-[1-[[(3-chloropyrazin-2-yl)amino]methyl]cyclopropyl]ethanol
CID 114757217
4-[(4-amino-6-chloro-1,3,5-triazin-2-yl)amino]-3,3-dimethylbutan-1-ol
CID 106149742
[1-[[(4-amino-6-pyrrolidin-1-yl-1,3,5-triazin-2-yl)amino]methyl]cyclopropyl]methanol
CID 115457180
[1-[[[4-chloro-6-(propylamino)-1,3,5-triazin-2-yl]amino]methyl]cyclopentyl]methanol
CID 115366362
[1-[[(4-amino-6-methyl-1,3,5-triazin-2-yl)amino]methyl]cyclohexyl]methanol
CID 112746327

Frequently Asked Questions

What is the IUPAC name of 2-[1-[[(4-amino-6-chloro-1,3,5-triazin-2-yl)amino]methyl]cyclopropyl]ethanol?
The IUPAC name of 2-[1-[[(4-amino-6-chloro-1,3,5-triazin-2-yl)amino]methyl]cyclopropyl]ethanol (CID 114759634) is 2-[1-[[(4-amino-6-chloro-1,3,5-triazin-2-yl)amino]methyl]cyclopropyl]ethanol.
What is the SMILES notation for 2-[1-[[(4-amino-6-chloro-1,3,5-triazin-2-yl)amino]methyl]cyclopropyl]ethanol?
The canonical SMILES for 2-[1-[[(4-amino-6-chloro-1,3,5-triazin-2-yl)amino]methyl]cyclopropyl]ethanol is Nc1nc(Cl)nc(NCC2(CCO)CC2)n1.
What is the InChIKey of 2-[1-[[(4-amino-6-chloro-1,3,5-triazin-2-yl)amino]methyl]cyclopropyl]ethanol?
The InChIKey is CSIKLULZMMRLTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14ClN5O/c10-6-13-7(11)15-8(14-6)12-5-9(1-2-9)3-4-16/h16H,1-5H2,(H3,11,12,13,14,15).
What are the key properties of 2-[1-[[(4-amino-6-chloro-1,3,5-triazin-2-yl)amino]methyl]cyclopropyl]ethanol?
2-[1-[[(4-amino-6-chloro-1,3,5-triazin-2-yl)amino]methyl]cyclopropyl]ethanol has a molecular weight of 243.70 g/mol, XLogP of 0.68, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[[(4-amino-6-chloro-1,3,5-triazin-2-yl)amino]methyl]cyclopropyl]ethanol is sourced from PubChem (CID 114759634), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).