6-chloro-2-N-[(4-methylmorpholin-2-yl)methyl]-4-N-propyl-1,3,5-triazine-2,4-diamine

C12H21ClN6O — CID 80850407

IUPAC6-chloro-2-N-[(4-methylmorpholin-2-yl)methyl]-4-N-propyl-1,3,5-triazine-2,4-diamine
SMILESCCCNc1nc(Cl)nc(NCC2CN(C)CCO2)n1
InChIInChI=1S/C12H21ClN6O/c1-3-4-14-11-16-10(13)17-12(18-11)15-7-9-8-19(2)5-6-20-9/h9H,3-8H2,1-2H3,(H2,14,15,16,17,18)
InChIKeyOMSSYXBYPSAJLQ-UHFFFAOYSA-N
MW300.79 g/mol
LogP1.09
Rot. Bonds6

About 6-chloro-2-N-[(4-methylmorpholin-2-yl)methyl]-4-N-propyl-1,3,5-triazine-2,4-diamine

6-chloro-2-N-[(4-methylmorpholin-2-yl)methyl]-4-N-propyl-1,3,5-triazine-2,4-diamine (PubChem CID 80850407) has the molecular formula C12H21ClN6O and a molecular weight of 300.79 g/mol. Its IUPAC name is 6-chloro-2-N-[(4-methylmorpholin-2-yl)methyl]-4-N-propyl-1,3,5-triazine-2,4-diamine.

Molecular Properties

Compound Name6-chloro-2-N-[(4-methylmorpholin-2-yl)methyl]-4-N-propyl-1,3,5-triazine-2,4-diamine
PubChem CID80850407
Molecular FormulaC12H21ClN6O
Molecular Weight300.79 g/mol
Exact Mass300.15
IUPAC Name6-chloro-2-N-[(4-methylmorpholin-2-yl)methyl]-4-N-propyl-1,3,5-triazine-2,4-diamine
SMILESCCCNc1nc(Cl)nc(NCC2CN(C)CCO2)n1
InChIInChI=1S/C12H21ClN6O/c1-3-4-14-11-16-10(13)17-12(18-11)15-7-9-8-19(2)5-6-20-9/h9H,3-8H2,1-2H3,(H2,14,15,16,17,18)
InChIKeyOMSSYXBYPSAJLQ-UHFFFAOYSA-N
XLogP1.09
TPSA75.20 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.79
LogP ≤ 51.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 6-chloro-2-N-[(4-methylmorpholin-2-yl)methyl]-4-N-propyl-1,3,5-triazine-2,4-diamine with MolForge

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Related Compounds

4-chloro-N-[(4-methylmorpholin-2-yl)methyl]-6-pyrrolidin-1-yl-1,3,5-triazin-2-amine
CID 79071314
4,6-dimethyl-N-[(4-methylmorpholin-2-yl)methyl]pyrimidin-2-amine
CID 78952498
3-N-[(4-methylmorpholin-2-yl)methyl]-1H-1,2,4-triazole-3,5-diamine
CID 79071706
4-ethoxy-6-methyl-N-[(4-methylmorpholin-2-yl)methyl]pyrimidin-2-amine
CID 112638139
6-chloro-5-methyl-N-[(4-methylmorpholin-2-yl)methyl]-2-propylpyrimidin-4-amine
CID 80977889
3-[[[4-chloro-6-(propylamino)-1,3,5-triazin-2-yl]amino]methyl]cyclobutan-1-ol
CID 80855943
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
N-[(4-methylmorpholin-2-yl)methyl]-4-propoxypyrimidin-2-amine
CID 112638136
N-[[(2R)-4-methylmorpholin-2-yl]methyl]-4-(trifluoromethyl)pyrimidin-2-amine
CID 95160947
6-chloro-4-N-ethyl-2-N-[(1-methylpiperidin-4-yl)methyl]-1,3,5-triazine-2,4-diamine
CID 80811730
6-chloro-N-[(4-methylmorpholin-2-yl)methyl]-2-methylsulfanylpyrimidin-4-amine
CID 80545786

Frequently Asked Questions

What is the IUPAC name of 6-chloro-2-N-[(4-methylmorpholin-2-yl)methyl]-4-N-propyl-1,3,5-triazine-2,4-diamine?
The IUPAC name of 6-chloro-2-N-[(4-methylmorpholin-2-yl)methyl]-4-N-propyl-1,3,5-triazine-2,4-diamine (CID 80850407) is 6-chloro-2-N-[(4-methylmorpholin-2-yl)methyl]-4-N-propyl-1,3,5-triazine-2,4-diamine.
What is the SMILES notation for 6-chloro-2-N-[(4-methylmorpholin-2-yl)methyl]-4-N-propyl-1,3,5-triazine-2,4-diamine?
The canonical SMILES for 6-chloro-2-N-[(4-methylmorpholin-2-yl)methyl]-4-N-propyl-1,3,5-triazine-2,4-diamine is CCCNc1nc(Cl)nc(NCC2CN(C)CCO2)n1.
What is the InChIKey of 6-chloro-2-N-[(4-methylmorpholin-2-yl)methyl]-4-N-propyl-1,3,5-triazine-2,4-diamine?
The InChIKey is OMSSYXBYPSAJLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21ClN6O/c1-3-4-14-11-16-10(13)17-12(18-11)15-7-9-8-19(2)5-6-20-9/h9H,3-8H2,1-2H3,(H2,14,15,16,17,18).
What are the key properties of 6-chloro-2-N-[(4-methylmorpholin-2-yl)methyl]-4-N-propyl-1,3,5-triazine-2,4-diamine?
6-chloro-2-N-[(4-methylmorpholin-2-yl)methyl]-4-N-propyl-1,3,5-triazine-2,4-diamine has a molecular weight of 300.79 g/mol, XLogP of 1.09, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-2-N-[(4-methylmorpholin-2-yl)methyl]-4-N-propyl-1,3,5-triazine-2,4-diamine is sourced from PubChem (CID 80850407), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).