2-[(4-chloro-6-pyrrolidin-1-yl-1,3,5-triazin-2-yl)amino]-1-cyclopropylethanol

C12H18ClN5O — CID 63297460

IUPAC2-[(4-chloro-6-pyrrolidin-1-yl-1,3,5-triazin-2-yl)amino]-1-cyclopropylethanol
SMILESOC(CNc1nc(Cl)nc(N2CCCC2)n1)C1CC1
InChIInChI=1S/C12H18ClN5O/c13-10-15-11(14-7-9(19)8-3-4-8)17-12(16-10)18-5-1-2-6-18/h8-9,19H,1-7H2,(H,14,15,16,17)
InChIKeyJEFHHEMSDYCJNX-UHFFFAOYSA-N
MW283.76 g/mol
LogP1.31
Rot. Bonds5

About 2-[(4-chloro-6-pyrrolidin-1-yl-1,3,5-triazin-2-yl)amino]-1-cyclopropylethanol

2-[(4-chloro-6-pyrrolidin-1-yl-1,3,5-triazin-2-yl)amino]-1-cyclopropylethanol (PubChem CID 63297460) has the molecular formula C12H18ClN5O and a molecular weight of 283.76 g/mol. Its IUPAC name is 2-[(4-chloro-6-pyrrolidin-1-yl-1,3,5-triazin-2-yl)amino]-1-cyclopropylethanol.

Molecular Properties

Compound Name2-[(4-chloro-6-pyrrolidin-1-yl-1,3,5-triazin-2-yl)amino]-1-cyclopropylethanol
PubChem CID63297460
Molecular FormulaC12H18ClN5O
Molecular Weight283.76 g/mol
Exact Mass283.12
IUPAC Name2-[(4-chloro-6-pyrrolidin-1-yl-1,3,5-triazin-2-yl)amino]-1-cyclopropylethanol
SMILESOC(CNc1nc(Cl)nc(N2CCCC2)n1)C1CC1
InChIInChI=1S/C12H18ClN5O/c13-10-15-11(14-7-9(19)8-3-4-8)17-12(16-10)18-5-1-2-6-18/h8-9,19H,1-7H2,(H,14,15,16,17)
InChIKeyJEFHHEMSDYCJNX-UHFFFAOYSA-N
XLogP1.31
TPSA74.17 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.76
LogP ≤ 51.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 2-[(4-chloro-6-pyrrolidin-1-yl-1,3,5-triazin-2-yl)amino]-1-cyclopropylethanol with MolForge

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Related Compounds

4-chloro-N-(2,2-difluoroethyl)-6-pyrrolidin-1-yl-1,3,5-triazin-2-amine
CID 115408246
4-chloro-N-(2,2-dimethoxyethyl)-6-pyrrolidin-1-yl-1,3,5-triazin-2-amine
CID 106197165
4-chloro-6-piperidin-1-yl-N-(thiolan-3-ylmethyl)-1,3,5-triazin-2-amine
CID 107297724
N'-(4-chloro-6-piperidin-1-yl-1,3,5-triazin-2-yl)methanediamine;methane
CID 158442311
4-chloro-N-ethyl-6-(4-propan-2-ylpiperidin-1-yl)-1,3,5-triazin-2-amine
CID 103504632
1-[(4-chloro-6-morpholin-4-yl-1,3,5-triazin-2-yl)amino]propan-2-ol
CID 55125040
4-chloro-N-(2-ethylhexyl)-6-pyrrolidin-1-yl-1,3,5-triazin-2-amine
CID 107817609
4-chloro-N-(3-methylbut-2-enyl)-6-piperidin-1-yl-1,3,5-triazin-2-amine
CID 106197256
1-[(4-chloro-6-morpholin-4-yl-1,3,5-triazin-2-yl)amino]butan-2-ol
CID 113492552
4-chloro-6-pyrrolidin-1-yl-N-(thiolan-2-ylmethyl)-1,3,5-triazin-2-amine
CID 80585655
4-chloro-N-cyclopropyl-6-piperidin-1-yl-1,3,5-triazin-2-amine
CID 62869030
5-[(4-chloro-6-piperidin-1-yl-1,3,5-triazin-2-yl)amino]pentan-1-ol
CID 107318317

Frequently Asked Questions

What is the IUPAC name of 2-[(4-chloro-6-pyrrolidin-1-yl-1,3,5-triazin-2-yl)amino]-1-cyclopropylethanol?
The IUPAC name of 2-[(4-chloro-6-pyrrolidin-1-yl-1,3,5-triazin-2-yl)amino]-1-cyclopropylethanol (CID 63297460) is 2-[(4-chloro-6-pyrrolidin-1-yl-1,3,5-triazin-2-yl)amino]-1-cyclopropylethanol.
What is the SMILES notation for 2-[(4-chloro-6-pyrrolidin-1-yl-1,3,5-triazin-2-yl)amino]-1-cyclopropylethanol?
The canonical SMILES for 2-[(4-chloro-6-pyrrolidin-1-yl-1,3,5-triazin-2-yl)amino]-1-cyclopropylethanol is OC(CNc1nc(Cl)nc(N2CCCC2)n1)C1CC1.
What is the InChIKey of 2-[(4-chloro-6-pyrrolidin-1-yl-1,3,5-triazin-2-yl)amino]-1-cyclopropylethanol?
The InChIKey is JEFHHEMSDYCJNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18ClN5O/c13-10-15-11(14-7-9(19)8-3-4-8)17-12(16-10)18-5-1-2-6-18/h8-9,19H,1-7H2,(H,14,15,16,17).
What are the key properties of 2-[(4-chloro-6-pyrrolidin-1-yl-1,3,5-triazin-2-yl)amino]-1-cyclopropylethanol?
2-[(4-chloro-6-pyrrolidin-1-yl-1,3,5-triazin-2-yl)amino]-1-cyclopropylethanol has a molecular weight of 283.76 g/mol, XLogP of 1.31, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-chloro-6-pyrrolidin-1-yl-1,3,5-triazin-2-yl)amino]-1-cyclopropylethanol is sourced from PubChem (CID 63297460), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).