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

C14H24ClN5O — CID 106257393

IUPAC2-[[(4-chloro-6-pyrrolidin-1-yl-1,3,5-triazin-2-yl)amino]methyl]-2-ethylbutan-1-ol
SMILESCCC(CC)(CO)CNc1nc(Cl)nc(N2CCCC2)n1
InChIInChI=1S/C14H24ClN5O/c1-3-14(4-2,10-21)9-16-12-17-11(15)18-13(19-12)20-7-5-6-8-20/h21H,3-10H2,1-2H3,(H,16,17,18,19)
InChIKeySYAJEUKGMHXFQZ-UHFFFAOYSA-N
MW313.83 g/mol
LogP2.34
Rot. Bonds7

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

2-[[(4-chloro-6-pyrrolidin-1-yl-1,3,5-triazin-2-yl)amino]methyl]-2-ethylbutan-1-ol (PubChem CID 106257393) has the molecular formula C14H24ClN5O and a molecular weight of 313.83 g/mol. Its IUPAC name is 2-[[(4-chloro-6-pyrrolidin-1-yl-1,3,5-triazin-2-yl)amino]methyl]-2-ethylbutan-1-ol.

Molecular Properties

Compound Name2-[[(4-chloro-6-pyrrolidin-1-yl-1,3,5-triazin-2-yl)amino]methyl]-2-ethylbutan-1-ol
PubChem CID106257393
Molecular FormulaC14H24ClN5O
Molecular Weight313.83 g/mol
Exact Mass313.17
IUPAC Name2-[[(4-chloro-6-pyrrolidin-1-yl-1,3,5-triazin-2-yl)amino]methyl]-2-ethylbutan-1-ol
SMILESCCC(CC)(CO)CNc1nc(Cl)nc(N2CCCC2)n1
InChIInChI=1S/C14H24ClN5O/c1-3-14(4-2,10-21)9-16-12-17-11(15)18-13(19-12)20-7-5-6-8-20/h21H,3-10H2,1-2H3,(H,16,17,18,19)
InChIKeySYAJEUKGMHXFQZ-UHFFFAOYSA-N
XLogP2.34
TPSA74.17 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.83
LogP ≤ 52.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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

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Related Compounds

N-(4-chloro-6-pyrrolidin-1-yl-1,3,5-triazin-2-yl)-N',N',2,2-tetramethylpropane-1,3-diamine
CID 62869546
1-[(4-chloro-6-pyrrolidin-1-yl-1,3,5-triazin-2-yl)amino]-4-methoxy-2-methylbutan-2-ol
CID 106257269
4-chloro-N-(3-methylbut-2-enyl)-6-piperidin-1-yl-1,3,5-triazin-2-amine
CID 106197256
2-[2-[(4-chloro-6-piperidin-1-yl-1,3,5-triazin-2-yl)amino]ethoxy]ethanol
CID 62864714
2-[1-[[(4-chloro-6-pyrrolidin-1-yl-1,3,5-triazin-2-yl)amino]methyl]cyclopropyl]ethanol
CID 114757195
5-[(4-chloro-6-piperidin-1-yl-1,3,5-triazin-2-yl)amino]pentan-1-ol
CID 107318317
N-(4-chloro-6-pyrrolidin-1-yl-1,3,5-triazin-2-yl)-N',N'-diethylethane-1,2-diamine
CID 62870216
N'-(4-chloro-6-piperidin-1-yl-1,3,5-triazin-2-yl)methanediamine;methane
CID 158442311
N-but-2-ynyl-4-chloro-6-piperidin-1-yl-1,3,5-triazin-2-amine
CID 114156794
2,2-dimethyl-3-[[4-(methylamino)-6-pyrrolidin-1-yl-1,3,5-triazin-2-yl]amino]propan-1-ol
CID 115366480
N-(4-chloro-6-piperidin-1-yl-1,3,5-triazin-2-yl)-N',N'-diethylethane-1,2-diamine
CID 62870217
N-(2-butoxyethyl)-4-chloro-6-piperidin-1-yl-1,3,5-triazin-2-amine
CID 62863300

Frequently Asked Questions

What is the IUPAC name of 2-[[(4-chloro-6-pyrrolidin-1-yl-1,3,5-triazin-2-yl)amino]methyl]-2-ethylbutan-1-ol?
The IUPAC name of 2-[[(4-chloro-6-pyrrolidin-1-yl-1,3,5-triazin-2-yl)amino]methyl]-2-ethylbutan-1-ol (CID 106257393) is 2-[[(4-chloro-6-pyrrolidin-1-yl-1,3,5-triazin-2-yl)amino]methyl]-2-ethylbutan-1-ol.
What is the SMILES notation for 2-[[(4-chloro-6-pyrrolidin-1-yl-1,3,5-triazin-2-yl)amino]methyl]-2-ethylbutan-1-ol?
The canonical SMILES for 2-[[(4-chloro-6-pyrrolidin-1-yl-1,3,5-triazin-2-yl)amino]methyl]-2-ethylbutan-1-ol is CCC(CC)(CO)CNc1nc(Cl)nc(N2CCCC2)n1.
What is the InChIKey of 2-[[(4-chloro-6-pyrrolidin-1-yl-1,3,5-triazin-2-yl)amino]methyl]-2-ethylbutan-1-ol?
The InChIKey is SYAJEUKGMHXFQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24ClN5O/c1-3-14(4-2,10-21)9-16-12-17-11(15)18-13(19-12)20-7-5-6-8-20/h21H,3-10H2,1-2H3,(H,16,17,18,19).
What are the key properties of 2-[[(4-chloro-6-pyrrolidin-1-yl-1,3,5-triazin-2-yl)amino]methyl]-2-ethylbutan-1-ol?
2-[[(4-chloro-6-pyrrolidin-1-yl-1,3,5-triazin-2-yl)amino]methyl]-2-ethylbutan-1-ol has a molecular weight of 313.83 g/mol, XLogP of 2.34, 7 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]methyl]-2-ethylbutan-1-ol is sourced from PubChem (CID 106257393), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).