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

C12H21ClN6 — CID 62865283

IUPAC6-chloro-4-N-[(1-ethylpyrrolidin-3-yl)methyl]-2-N,2-N-dimethyl-1,3,5-triazine-2,4-diamine
SMILESCCN1CCC(CNc2nc(Cl)nc(N(C)C)n2)C1
InChIInChI=1S/C12H21ClN6/c1-4-19-6-5-9(8-19)7-14-11-15-10(13)16-12(17-11)18(2)3/h9H,4-8H2,1-3H3,(H,14,15,16,17)
InChIKeyBQMBOWUJZIXLMA-UHFFFAOYSA-N
MW284.79 g/mol
LogP1.34
Rot. Bonds5

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

6-chloro-4-N-[(1-ethylpyrrolidin-3-yl)methyl]-2-N,2-N-dimethyl-1,3,5-triazine-2,4-diamine (PubChem CID 62865283) has the molecular formula C12H21ClN6 and a molecular weight of 284.79 g/mol. Its IUPAC name is 6-chloro-4-N-[(1-ethylpyrrolidin-3-yl)methyl]-2-N,2-N-dimethyl-1,3,5-triazine-2,4-diamine.

Molecular Properties

Compound Name6-chloro-4-N-[(1-ethylpyrrolidin-3-yl)methyl]-2-N,2-N-dimethyl-1,3,5-triazine-2,4-diamine
PubChem CID62865283
Molecular FormulaC12H21ClN6
Molecular Weight284.79 g/mol
Exact Mass284.15
IUPAC Name6-chloro-4-N-[(1-ethylpyrrolidin-3-yl)methyl]-2-N,2-N-dimethyl-1,3,5-triazine-2,4-diamine
SMILESCCN1CCC(CNc2nc(Cl)nc(N(C)C)n2)C1
InChIInChI=1S/C12H21ClN6/c1-4-19-6-5-9(8-19)7-14-11-15-10(13)16-12(17-11)18(2)3/h9H,4-8H2,1-3H3,(H,14,15,16,17)
InChIKeyBQMBOWUJZIXLMA-UHFFFAOYSA-N
XLogP1.34
TPSA57.18 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.79
LogP ≤ 51.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

6-chloro-4-N-[(1-ethylpiperidin-4-yl)methyl]-2-N,2-N-dimethyl-1,3,5-triazine-2,4-diamine
CID 62865016
6-chloro-2-N,2-N-diethyl-4-N-[(1-ethylpyrrolidin-3-yl)methyl]-1,3,5-triazine-2,4-diamine
CID 62862665
4-chloro-N-[(1-ethylpyrrolidin-3-yl)methyl]-6-propoxy-1,3,5-triazin-2-amine
CID 62865100
6-chloro-4-N-(cyclohexylmethyl)-2-N,2-N-dimethyl-1,3,5-triazine-2,4-diamine
CID 62864547
6-chloro-2-N-[(1-ethylpiperidin-4-yl)methyl]-4-N-methyl-1,3,5-triazine-2,4-diamine
CID 80811735
3-[[[4-chloro-6-(dimethylamino)-1,3,5-triazin-2-yl]amino]methyl]cyclobutan-1-ol
CID 66006832
6-chloro-4-N-[(1,1-dioxothiolan-3-yl)methyl]-2-N,2-N-dimethyl-1,3,5-triazine-2,4-diamine
CID 62864188
4-chloro-N-[(1-ethylpiperidin-4-yl)methyl]-6-propan-2-yloxy-1,3,5-triazin-2-amine
CID 62865015
6-chloro-2-N,2-N-dimethyl-4-N-[(2-methylcyclohexyl)methyl]-1,3,5-triazine-2,4-diamine
CID 62862573
N-[(1-ethylpyrrolidin-3-yl)methyl]-5-methoxypyrimidin-2-amine
CID 114600387
6-chloro-2-N-[(1-methylpyrrolidin-3-yl)methyl]-1,3,5-triazine-2,4-diamine
CID 80790390
4-chloro-N-[(1-ethylpyrrolidin-3-yl)methyl]-1,3-thiazol-2-amine
CID 83153002

Frequently Asked Questions

What is the IUPAC name of 6-chloro-4-N-[(1-ethylpyrrolidin-3-yl)methyl]-2-N,2-N-dimethyl-1,3,5-triazine-2,4-diamine?
The IUPAC name of 6-chloro-4-N-[(1-ethylpyrrolidin-3-yl)methyl]-2-N,2-N-dimethyl-1,3,5-triazine-2,4-diamine (CID 62865283) is 6-chloro-4-N-[(1-ethylpyrrolidin-3-yl)methyl]-2-N,2-N-dimethyl-1,3,5-triazine-2,4-diamine.
What is the SMILES notation for 6-chloro-4-N-[(1-ethylpyrrolidin-3-yl)methyl]-2-N,2-N-dimethyl-1,3,5-triazine-2,4-diamine?
The canonical SMILES for 6-chloro-4-N-[(1-ethylpyrrolidin-3-yl)methyl]-2-N,2-N-dimethyl-1,3,5-triazine-2,4-diamine is CCN1CCC(CNc2nc(Cl)nc(N(C)C)n2)C1.
What is the InChIKey of 6-chloro-4-N-[(1-ethylpyrrolidin-3-yl)methyl]-2-N,2-N-dimethyl-1,3,5-triazine-2,4-diamine?
The InChIKey is BQMBOWUJZIXLMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21ClN6/c1-4-19-6-5-9(8-19)7-14-11-15-10(13)16-12(17-11)18(2)3/h9H,4-8H2,1-3H3,(H,14,15,16,17).
What are the key properties of 6-chloro-4-N-[(1-ethylpyrrolidin-3-yl)methyl]-2-N,2-N-dimethyl-1,3,5-triazine-2,4-diamine?
6-chloro-4-N-[(1-ethylpyrrolidin-3-yl)methyl]-2-N,2-N-dimethyl-1,3,5-triazine-2,4-diamine has a molecular weight of 284.79 g/mol, XLogP of 1.34, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-4-N-[(1-ethylpyrrolidin-3-yl)methyl]-2-N,2-N-dimethyl-1,3,5-triazine-2,4-diamine is sourced from PubChem (CID 62865283), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).