N-(4-chloro-6-pyrrolidin-1-yl-1,3,5-triazin-2-yl)-N',N',2,2-tetramethylpropane-1,3-diamine

C14H25ClN6 — CID 62869546

IUPACN-(4-chloro-6-pyrrolidin-1-yl-1,3,5-triazin-2-yl)-N',N',2,2-tetramethylpropane-1,3-diamine
SMILESCN(C)CC(C)(C)CNc1nc(Cl)nc(N2CCCC2)n1
InChIInChI=1S/C14H25ClN6/c1-14(2,10-20(3)4)9-16-12-17-11(15)18-13(19-12)21-7-5-6-8-21/h5-10H2,1-4H3,(H,16,17,18,19)
InChIKeyQPMORBLLRZCEFV-UHFFFAOYSA-N
MW312.85 g/mol
LogP2.12
Rot. Bonds6

About N-(4-chloro-6-pyrrolidin-1-yl-1,3,5-triazin-2-yl)-N',N',2,2-tetramethylpropane-1,3-diamine

N-(4-chloro-6-pyrrolidin-1-yl-1,3,5-triazin-2-yl)-N',N',2,2-tetramethylpropane-1,3-diamine (PubChem CID 62869546) has the molecular formula C14H25ClN6 and a molecular weight of 312.85 g/mol. Its IUPAC name is N-(4-chloro-6-pyrrolidin-1-yl-1,3,5-triazin-2-yl)-N',N',2,2-tetramethylpropane-1,3-diamine.

Molecular Properties

Compound NameN-(4-chloro-6-pyrrolidin-1-yl-1,3,5-triazin-2-yl)-N',N',2,2-tetramethylpropane-1,3-diamine
PubChem CID62869546
Molecular FormulaC14H25ClN6
Molecular Weight312.85 g/mol
Exact Mass312.18
IUPAC NameN-(4-chloro-6-pyrrolidin-1-yl-1,3,5-triazin-2-yl)-N',N',2,2-tetramethylpropane-1,3-diamine
SMILESCN(C)CC(C)(C)CNc1nc(Cl)nc(N2CCCC2)n1
InChIInChI=1S/C14H25ClN6/c1-14(2,10-20(3)4)9-16-12-17-11(15)18-13(19-12)21-7-5-6-8-21/h5-10H2,1-4H3,(H,16,17,18,19)
InChIKeyQPMORBLLRZCEFV-UHFFFAOYSA-N
XLogP2.12
TPSA57.18 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.85
LogP ≤ 52.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-(4-chloro-6-pyrazol-1-yl-1,3,5-triazin-2-yl)-N',N',2,2-tetramethylpropane-1,3-diamine
CID 62869545
2-[[(4-chloro-6-pyrrolidin-1-yl-1,3,5-triazin-2-yl)amino]methyl]-2-ethylbutan-1-ol
CID 106257393
2-N-(4-chloro-6-pyrrolidin-1-yl-1,3,5-triazin-2-yl)-1-N,1-N-dimethylpropane-1,2-diamine
CID 82949836
1-[(4-chloro-6-pyrrolidin-1-yl-1,3,5-triazin-2-yl)amino]-4-methoxy-2-methylbutan-2-ol
CID 106257269
2-[(4-chloro-6-piperidin-1-yl-1,3,5-triazin-2-yl)amino]-N,N-dimethylacetamide
CID 62862989
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
N-(4-chloro-6-piperidin-1-yl-1,3,5-triazin-2-yl)-N',N'-diethylethane-1,2-diamine
CID 62870217
N-(4-chloro-6-piperidin-1-yl-1,3,5-triazin-2-yl)-N'-cyclopropyl-N'-methylethane-1,2-diamine
CID 62980140
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

Frequently Asked Questions

What is the IUPAC name of N-(4-chloro-6-pyrrolidin-1-yl-1,3,5-triazin-2-yl)-N',N',2,2-tetramethylpropane-1,3-diamine?
The IUPAC name of N-(4-chloro-6-pyrrolidin-1-yl-1,3,5-triazin-2-yl)-N',N',2,2-tetramethylpropane-1,3-diamine (CID 62869546) is N-(4-chloro-6-pyrrolidin-1-yl-1,3,5-triazin-2-yl)-N',N',2,2-tetramethylpropane-1,3-diamine.
What is the SMILES notation for N-(4-chloro-6-pyrrolidin-1-yl-1,3,5-triazin-2-yl)-N',N',2,2-tetramethylpropane-1,3-diamine?
The canonical SMILES for N-(4-chloro-6-pyrrolidin-1-yl-1,3,5-triazin-2-yl)-N',N',2,2-tetramethylpropane-1,3-diamine is CN(C)CC(C)(C)CNc1nc(Cl)nc(N2CCCC2)n1.
What is the InChIKey of N-(4-chloro-6-pyrrolidin-1-yl-1,3,5-triazin-2-yl)-N',N',2,2-tetramethylpropane-1,3-diamine?
The InChIKey is QPMORBLLRZCEFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25ClN6/c1-14(2,10-20(3)4)9-16-12-17-11(15)18-13(19-12)21-7-5-6-8-21/h5-10H2,1-4H3,(H,16,17,18,19).
What are the key properties of N-(4-chloro-6-pyrrolidin-1-yl-1,3,5-triazin-2-yl)-N',N',2,2-tetramethylpropane-1,3-diamine?
N-(4-chloro-6-pyrrolidin-1-yl-1,3,5-triazin-2-yl)-N',N',2,2-tetramethylpropane-1,3-diamine has a molecular weight of 312.85 g/mol, XLogP of 2.12, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chloro-6-pyrrolidin-1-yl-1,3,5-triazin-2-yl)-N',N',2,2-tetramethylpropane-1,3-diamine is sourced from PubChem (CID 62869546), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).