4-chloro-N-[(4-methylmorpholin-2-yl)methyl]-6-pyrrolidin-1-yl-1,3,5-triazin-2-amine

C13H21ClN6O — CID 79071314

IUPAC4-chloro-N-[(4-methylmorpholin-2-yl)methyl]-6-pyrrolidin-1-yl-1,3,5-triazin-2-amine
SMILESCN1CCOC(CNc2nc(Cl)nc(N3CCCC3)n2)C1
InChIInChI=1S/C13H21ClN6O/c1-19-6-7-21-10(9-19)8-15-12-16-11(14)17-13(18-12)20-4-2-3-5-20/h10H,2-9H2,1H3,(H,15,16,17,18)
InChIKeyITXLVDJGUIAYQM-UHFFFAOYSA-N
MW312.81 g/mol
LogP0.87
Rot. Bonds4

About 4-chloro-N-[(4-methylmorpholin-2-yl)methyl]-6-pyrrolidin-1-yl-1,3,5-triazin-2-amine

4-chloro-N-[(4-methylmorpholin-2-yl)methyl]-6-pyrrolidin-1-yl-1,3,5-triazin-2-amine (PubChem CID 79071314) has the molecular formula C13H21ClN6O and a molecular weight of 312.81 g/mol. Its IUPAC name is 4-chloro-N-[(4-methylmorpholin-2-yl)methyl]-6-pyrrolidin-1-yl-1,3,5-triazin-2-amine.

Molecular Properties

Compound Name4-chloro-N-[(4-methylmorpholin-2-yl)methyl]-6-pyrrolidin-1-yl-1,3,5-triazin-2-amine
PubChem CID79071314
Molecular FormulaC13H21ClN6O
Molecular Weight312.81 g/mol
Exact Mass312.15
IUPAC Name4-chloro-N-[(4-methylmorpholin-2-yl)methyl]-6-pyrrolidin-1-yl-1,3,5-triazin-2-amine
SMILESCN1CCOC(CNc2nc(Cl)nc(N3CCCC3)n2)C1
InChIInChI=1S/C13H21ClN6O/c1-19-6-7-21-10(9-19)8-15-12-16-11(14)17-13(18-12)20-4-2-3-5-20/h10H,2-9H2,1H3,(H,15,16,17,18)
InChIKeyITXLVDJGUIAYQM-UHFFFAOYSA-N
XLogP0.87
TPSA66.41 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.81
LogP ≤ 50.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 4-chloro-N-[(4-methylmorpholin-2-yl)methyl]-6-pyrrolidin-1-yl-1,3,5-triazin-2-amine with MolForge

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Related Compounds

6-chloro-2-N-[(4-methylmorpholin-2-yl)methyl]-4-N-propyl-1,3,5-triazine-2,4-diamine
CID 80850407
4,6-dimethyl-N-[(4-methylmorpholin-2-yl)methyl]pyrimidin-2-amine
CID 78952498
4-chloro-6-piperidin-1-yl-N-(thiolan-3-ylmethyl)-1,3,5-triazin-2-amine
CID 107297724
3-N-[(4-methylmorpholin-2-yl)methyl]-1H-1,2,4-triazole-3,5-diamine
CID 79071706
2-N-(1,4-dioxan-2-ylmethyl)-4-N-methyl-6-pyrrolidin-1-yl-1,3,5-triazine-2,4-diamine
CID 80774497
4-chloro-6-pyrrolidin-1-yl-N-(thiolan-2-ylmethyl)-1,3,5-triazin-2-amine
CID 80585655
5-fluoro-N-[[(2S)-4-methylmorpholin-2-yl]methyl]pyrimidin-2-amine
CID 124594370
N-[(4-methylmorpholin-2-yl)methyl]-1,2,4-benzotriazin-3-amine
CID 103204381
4-chloro-N-[(5-methyl-1,2-oxazol-3-yl)methyl]-6-pyrrolidin-1-yl-1,3,5-triazin-2-amine
CID 62863628
N-[(4-methylmorpholin-2-yl)methyl]-6-piperidin-1-ylpyrimidin-4-amine
CID 133280984
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

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-[(4-methylmorpholin-2-yl)methyl]-6-pyrrolidin-1-yl-1,3,5-triazin-2-amine?
The IUPAC name of 4-chloro-N-[(4-methylmorpholin-2-yl)methyl]-6-pyrrolidin-1-yl-1,3,5-triazin-2-amine (CID 79071314) is 4-chloro-N-[(4-methylmorpholin-2-yl)methyl]-6-pyrrolidin-1-yl-1,3,5-triazin-2-amine.
What is the SMILES notation for 4-chloro-N-[(4-methylmorpholin-2-yl)methyl]-6-pyrrolidin-1-yl-1,3,5-triazin-2-amine?
The canonical SMILES for 4-chloro-N-[(4-methylmorpholin-2-yl)methyl]-6-pyrrolidin-1-yl-1,3,5-triazin-2-amine is CN1CCOC(CNc2nc(Cl)nc(N3CCCC3)n2)C1.
What is the InChIKey of 4-chloro-N-[(4-methylmorpholin-2-yl)methyl]-6-pyrrolidin-1-yl-1,3,5-triazin-2-amine?
The InChIKey is ITXLVDJGUIAYQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21ClN6O/c1-19-6-7-21-10(9-19)8-15-12-16-11(14)17-13(18-12)20-4-2-3-5-20/h10H,2-9H2,1H3,(H,15,16,17,18).
What are the key properties of 4-chloro-N-[(4-methylmorpholin-2-yl)methyl]-6-pyrrolidin-1-yl-1,3,5-triazin-2-amine?
4-chloro-N-[(4-methylmorpholin-2-yl)methyl]-6-pyrrolidin-1-yl-1,3,5-triazin-2-amine has a molecular weight of 312.81 g/mol, XLogP of 0.87, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-[(4-methylmorpholin-2-yl)methyl]-6-pyrrolidin-1-yl-1,3,5-triazin-2-amine is sourced from PubChem (CID 79071314), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).