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

C9H14ClF2N5O — CID 106179428

IUPAC3-[[4-chloro-6-(propylamino)-1,3,5-triazin-2-yl]amino]-2,2-difluoropropan-1-ol
SMILESCCCNc1nc(Cl)nc(NCC(F)(F)CO)n1
InChIInChI=1S/C9H14ClF2N5O/c1-2-3-13-7-15-6(10)16-8(17-7)14-4-9(11,12)5-18/h18H,2-5H2,1H3,(H2,13,14,15,16,17)
InChIKeyICKYKOZAWYCLKB-UHFFFAOYSA-N
MW281.69 g/mol
LogP1.39
Rot. Bonds7

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

3-[[4-chloro-6-(propylamino)-1,3,5-triazin-2-yl]amino]-2,2-difluoropropan-1-ol (PubChem CID 106179428) has the molecular formula C9H14ClF2N5O and a molecular weight of 281.69 g/mol. Its IUPAC name is 3-[[4-chloro-6-(propylamino)-1,3,5-triazin-2-yl]amino]-2,2-difluoropropan-1-ol.

Molecular Properties

Compound Name3-[[4-chloro-6-(propylamino)-1,3,5-triazin-2-yl]amino]-2,2-difluoropropan-1-ol
PubChem CID106179428
Molecular FormulaC9H14ClF2N5O
Molecular Weight281.69 g/mol
Exact Mass281.09
IUPAC Name3-[[4-chloro-6-(propylamino)-1,3,5-triazin-2-yl]amino]-2,2-difluoropropan-1-ol
SMILESCCCNc1nc(Cl)nc(NCC(F)(F)CO)n1
InChIInChI=1S/C9H14ClF2N5O/c1-2-3-13-7-15-6(10)16-8(17-7)14-4-9(11,12)5-18/h18H,2-5H2,1H3,(H2,13,14,15,16,17)
InChIKeyICKYKOZAWYCLKB-UHFFFAOYSA-N
XLogP1.39
TPSA82.96 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.69
LogP ≤ 51.39
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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

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Launch Full Analysis

Related Compounds

6-chloro-2-N-(2,2-dimethylbutyl)-4-N-propyl-1,3,5-triazine-2,4-diamine
CID 103466661
5-[[4-chloro-6-(propylamino)-1,3,5-triazin-2-yl]amino]pentan-1-ol
CID 107324197
2-[3-[[4-chloro-6-(propylamino)-1,3,5-triazin-2-yl]amino]propoxy]ethanol
CID 106311585
6-chloro-2-N-(2-ethoxyethyl)-4-N-propyl-1,3,5-triazine-2,4-diamine
CID 80792148
2-[[4-chloro-6-(ethylamino)-1,3,5-triazin-2-yl]amino]-2-methylpropan-1-ol
CID 779516
2,2-difluoro-3-[[5-fluoro-2-(propylamino)pyrimidin-4-yl]amino]propan-1-ol
CID 114154605
6-chloro-2-N-(3-methoxypropyl)-4-N-propyl-1,3,5-triazine-2,4-diamine
CID 80772028
2-N-butan-2-yl-6-chloro-4-N-propyl-1,3,5-triazine-2,4-diamine
CID 80766369
3-[[4-(dimethylamino)-6-(ethylamino)-1,3,5-triazin-2-yl]amino]-2,2-difluoropropan-1-ol
CID 106179421
2-[[4-chloro-6-(propylamino)-1,3,5-triazin-2-yl]oxy]ethanol
CID 80860791
2-[[4-chloro-6-(propylamino)-1,3,5-triazin-2-yl]amino]-3-methoxypropan-1-ol
CID 106198836
6-chloro-2-N-pentan-2-yl-4-N-propyl-1,3,5-triazine-2,4-diamine
CID 80769646

Frequently Asked Questions

What is the IUPAC name of 3-[[4-chloro-6-(propylamino)-1,3,5-triazin-2-yl]amino]-2,2-difluoropropan-1-ol?
The IUPAC name of 3-[[4-chloro-6-(propylamino)-1,3,5-triazin-2-yl]amino]-2,2-difluoropropan-1-ol (CID 106179428) is 3-[[4-chloro-6-(propylamino)-1,3,5-triazin-2-yl]amino]-2,2-difluoropropan-1-ol.
What is the SMILES notation for 3-[[4-chloro-6-(propylamino)-1,3,5-triazin-2-yl]amino]-2,2-difluoropropan-1-ol?
The canonical SMILES for 3-[[4-chloro-6-(propylamino)-1,3,5-triazin-2-yl]amino]-2,2-difluoropropan-1-ol is CCCNc1nc(Cl)nc(NCC(F)(F)CO)n1.
What is the InChIKey of 3-[[4-chloro-6-(propylamino)-1,3,5-triazin-2-yl]amino]-2,2-difluoropropan-1-ol?
The InChIKey is ICKYKOZAWYCLKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14ClF2N5O/c1-2-3-13-7-15-6(10)16-8(17-7)14-4-9(11,12)5-18/h18H,2-5H2,1H3,(H2,13,14,15,16,17).
What are the key properties of 3-[[4-chloro-6-(propylamino)-1,3,5-triazin-2-yl]amino]-2,2-difluoropropan-1-ol?
3-[[4-chloro-6-(propylamino)-1,3,5-triazin-2-yl]amino]-2,2-difluoropropan-1-ol has a molecular weight of 281.69 g/mol, XLogP of 1.39, 7 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[4-chloro-6-(propylamino)-1,3,5-triazin-2-yl]amino]-2,2-difluoropropan-1-ol is sourced from PubChem (CID 106179428), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).