[1-[[[4-chloro-6-(propylamino)-1,3,5-triazin-2-yl]amino]methyl]cyclopentyl]methanol

C13H22ClN5O — CID 115366362

IUPAC[1-[[[4-chloro-6-(propylamino)-1,3,5-triazin-2-yl]amino]methyl]cyclopentyl]methanol
SMILESCCCNc1nc(Cl)nc(NCC2(CO)CCCC2)n1
InChIInChI=1S/C13H22ClN5O/c1-2-7-15-11-17-10(14)18-12(19-11)16-8-13(9-20)5-3-4-6-13/h20H,2-9H2,1H3,(H2,15,16,17,18,19)
InChIKeyQLGWIAJTPCIGHY-UHFFFAOYSA-N
MW299.81 g/mol
LogP2.31
Rot. Bonds7

About [1-[[[4-chloro-6-(propylamino)-1,3,5-triazin-2-yl]amino]methyl]cyclopentyl]methanol

[1-[[[4-chloro-6-(propylamino)-1,3,5-triazin-2-yl]amino]methyl]cyclopentyl]methanol (PubChem CID 115366362) has the molecular formula C13H22ClN5O and a molecular weight of 299.81 g/mol. Its IUPAC name is [1-[[[4-chloro-6-(propylamino)-1,3,5-triazin-2-yl]amino]methyl]cyclopentyl]methanol.

Molecular Properties

Compound Name[1-[[[4-chloro-6-(propylamino)-1,3,5-triazin-2-yl]amino]methyl]cyclopentyl]methanol
PubChem CID115366362
Molecular FormulaC13H22ClN5O
Molecular Weight299.81 g/mol
Exact Mass299.15
IUPAC Name[1-[[[4-chloro-6-(propylamino)-1,3,5-triazin-2-yl]amino]methyl]cyclopentyl]methanol
SMILESCCCNc1nc(Cl)nc(NCC2(CO)CCCC2)n1
InChIInChI=1S/C13H22ClN5O/c1-2-7-15-11-17-10(14)18-12(19-11)16-8-13(9-20)5-3-4-6-13/h20H,2-9H2,1H3,(H2,15,16,17,18,19)
InChIKeyQLGWIAJTPCIGHY-UHFFFAOYSA-N
XLogP2.31
TPSA82.96 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.81
LogP ≤ 52.31
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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

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Launch Full Analysis

Related Compounds

[1-[[[4-chloro-6-(diethylamino)-1,3,5-triazin-2-yl]amino]methyl]cyclopentyl]methanol
CID 115361856
6-chloro-2-N-[(2-methyloxolan-2-yl)methyl]-4-N-propyl-1,3,5-triazine-2,4-diamine
CID 80855459
5-[[4-chloro-6-(propylamino)-1,3,5-triazin-2-yl]amino]pentan-1-ol
CID 107324197
6-chloro-2-N-cyclobutyl-4-N-propyl-1,3,5-triazine-2,4-diamine
CID 80827269
[1-[[(4-amino-6-methyl-1,3,5-triazin-2-yl)amino]methyl]cyclohexyl]methanol
CID 112746327
1-[[4-chloro-6-(propylamino)-1,3,5-triazin-2-yl]amino]-3-ethylpentan-2-ol
CID 106288996
3-[[4-chloro-6-(propylamino)-1,3,5-triazin-2-yl]amino]-2,2-difluoropropan-1-ol
CID 106179428
6-chloro-2-N-(2,2-dimethylbutyl)-4-N-propyl-1,3,5-triazine-2,4-diamine
CID 103466661
[1-[[(4-hydrazinyl-6-propan-2-yloxy-1,3,5-triazin-2-yl)amino]methyl]cyclopentyl]methanol
CID 115366569
4-chloro-6-ethoxy-N-[(1-ethylcyclobutyl)methyl]-1,3,5-triazin-2-amine
CID 114109143
3-[[[4-chloro-6-(propylamino)-1,3,5-triazin-2-yl]amino]methyl]cyclobutan-1-ol
CID 80855943
2-[[4-chloro-6-(propylamino)-1,3,5-triazin-2-yl]amino]-3-methylbutan-1-ol
CID 80848823

Frequently Asked Questions

What is the IUPAC name of [1-[[[4-chloro-6-(propylamino)-1,3,5-triazin-2-yl]amino]methyl]cyclopentyl]methanol?
The IUPAC name of [1-[[[4-chloro-6-(propylamino)-1,3,5-triazin-2-yl]amino]methyl]cyclopentyl]methanol (CID 115366362) is [1-[[[4-chloro-6-(propylamino)-1,3,5-triazin-2-yl]amino]methyl]cyclopentyl]methanol.
What is the SMILES notation for [1-[[[4-chloro-6-(propylamino)-1,3,5-triazin-2-yl]amino]methyl]cyclopentyl]methanol?
The canonical SMILES for [1-[[[4-chloro-6-(propylamino)-1,3,5-triazin-2-yl]amino]methyl]cyclopentyl]methanol is CCCNc1nc(Cl)nc(NCC2(CO)CCCC2)n1.
What is the InChIKey of [1-[[[4-chloro-6-(propylamino)-1,3,5-triazin-2-yl]amino]methyl]cyclopentyl]methanol?
The InChIKey is QLGWIAJTPCIGHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22ClN5O/c1-2-7-15-11-17-10(14)18-12(19-11)16-8-13(9-20)5-3-4-6-13/h20H,2-9H2,1H3,(H2,15,16,17,18,19).
What are the key properties of [1-[[[4-chloro-6-(propylamino)-1,3,5-triazin-2-yl]amino]methyl]cyclopentyl]methanol?
[1-[[[4-chloro-6-(propylamino)-1,3,5-triazin-2-yl]amino]methyl]cyclopentyl]methanol has a molecular weight of 299.81 g/mol, XLogP of 2.31, 7 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[[[4-chloro-6-(propylamino)-1,3,5-triazin-2-yl]amino]methyl]cyclopentyl]methanol is sourced from PubChem (CID 115366362), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).