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

C14H25ClN6 — CID 62865148

IUPAC2-N-(4-chloro-6-pyrrolidin-1-yl-1,3,5-triazin-2-yl)-1-N,1-N,3-trimethylbutane-1,2-diamine
SMILESCC(C)C(CN(C)C)Nc1nc(Cl)nc(N2CCCC2)n1
InChIInChI=1S/C14H25ClN6/c1-10(2)11(9-20(3)4)16-13-17-12(15)18-14(19-13)21-7-5-6-8-21/h10-11H,5-9H2,1-4H3,(H,16,17,18,19)
InChIKeyAPRKESFXCMRWGN-UHFFFAOYSA-N
MW312.85 g/mol
LogP2.12
Rot. Bonds6

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

2-N-(4-chloro-6-pyrrolidin-1-yl-1,3,5-triazin-2-yl)-1-N,1-N,3-trimethylbutane-1,2-diamine (PubChem CID 62865148) has the molecular formula C14H25ClN6 and a molecular weight of 312.85 g/mol. Its IUPAC name is 2-N-(4-chloro-6-pyrrolidin-1-yl-1,3,5-triazin-2-yl)-1-N,1-N,3-trimethylbutane-1,2-diamine.

Molecular Properties

Compound Name2-N-(4-chloro-6-pyrrolidin-1-yl-1,3,5-triazin-2-yl)-1-N,1-N,3-trimethylbutane-1,2-diamine
PubChem CID62865148
Molecular FormulaC14H25ClN6
Molecular Weight312.85 g/mol
Exact Mass312.18
IUPAC Name2-N-(4-chloro-6-pyrrolidin-1-yl-1,3,5-triazin-2-yl)-1-N,1-N,3-trimethylbutane-1,2-diamine
SMILESCC(C)C(CN(C)C)Nc1nc(Cl)nc(N2CCCC2)n1
InChIInChI=1S/C14H25ClN6/c1-10(2)11(9-20(3)4)16-13-17-12(15)18-14(19-13)21-7-5-6-8-21/h10-11H,5-9H2,1-4H3,(H,16,17,18,19)
InChIKeyAPRKESFXCMRWGN-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

Analyze 2-N-(4-chloro-6-pyrrolidin-1-yl-1,3,5-triazin-2-yl)-1-N,1-N,3-trimethylbutane-1,2-diamine with MolForge

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Related Compounds

2-N-(4-chloro-6-pyrrolidin-1-yl-1,3,5-triazin-2-yl)-1-N,1-N-dimethylpropane-1,2-diamine
CID 82949836
4-chloro-N-(5-methylhexan-2-yl)-6-piperidin-1-yl-1,3,5-triazin-2-amine
CID 63925934
4-chloro-N-pent-4-yn-2-yl-6-pyrrolidin-1-yl-1,3,5-triazin-2-amine
CID 114156802
4-chloro-N-(1-methylsulfonylpropan-2-yl)-6-pyrrolidin-1-yl-1,3,5-triazin-2-amine
CID 64644222
N-(4-chloro-6-pyrrolidin-1-yl-1,3,5-triazin-2-yl)-N',N',2,2-tetramethylpropane-1,3-diamine
CID 62869546
4-chloro-6-morpholin-4-yl-N-propan-2-yl-1,3,5-triazin-2-amine
CID 759895
4-chloro-N-octan-4-yl-6-pyrrolidin-1-yl-1,3,5-triazin-2-amine
CID 106028150
N-propan-2-yl-4,6-dipyrrolidin-1-yl-1,3,5-triazin-2-amine
CID 623866
4-chloro-6-pyrrolidin-1-yl-N-(1-thiophen-2-ylpropan-2-yl)-1,3,5-triazin-2-amine
CID 63292587
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-N-(5-methylhexan-2-yl)-6-morpholin-4-yl-1,3,5-triazin-2-amine
CID 63925326

Frequently Asked Questions

What is the IUPAC name of 2-N-(4-chloro-6-pyrrolidin-1-yl-1,3,5-triazin-2-yl)-1-N,1-N,3-trimethylbutane-1,2-diamine?
The IUPAC name of 2-N-(4-chloro-6-pyrrolidin-1-yl-1,3,5-triazin-2-yl)-1-N,1-N,3-trimethylbutane-1,2-diamine (CID 62865148) is 2-N-(4-chloro-6-pyrrolidin-1-yl-1,3,5-triazin-2-yl)-1-N,1-N,3-trimethylbutane-1,2-diamine.
What is the SMILES notation for 2-N-(4-chloro-6-pyrrolidin-1-yl-1,3,5-triazin-2-yl)-1-N,1-N,3-trimethylbutane-1,2-diamine?
The canonical SMILES for 2-N-(4-chloro-6-pyrrolidin-1-yl-1,3,5-triazin-2-yl)-1-N,1-N,3-trimethylbutane-1,2-diamine is CC(C)C(CN(C)C)Nc1nc(Cl)nc(N2CCCC2)n1.
What is the InChIKey of 2-N-(4-chloro-6-pyrrolidin-1-yl-1,3,5-triazin-2-yl)-1-N,1-N,3-trimethylbutane-1,2-diamine?
The InChIKey is APRKESFXCMRWGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25ClN6/c1-10(2)11(9-20(3)4)16-13-17-12(15)18-14(19-13)21-7-5-6-8-21/h10-11H,5-9H2,1-4H3,(H,16,17,18,19).
What are the key properties of 2-N-(4-chloro-6-pyrrolidin-1-yl-1,3,5-triazin-2-yl)-1-N,1-N,3-trimethylbutane-1,2-diamine?
2-N-(4-chloro-6-pyrrolidin-1-yl-1,3,5-triazin-2-yl)-1-N,1-N,3-trimethylbutane-1,2-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 2-N-(4-chloro-6-pyrrolidin-1-yl-1,3,5-triazin-2-yl)-1-N,1-N,3-trimethylbutane-1,2-diamine is sourced from PubChem (CID 62865148), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).