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

C13H22ClN5O — CID 79315410

IUPAC4-chloro-N-methyl-N-[(1-methylpyrrolidin-2-yl)methyl]-6-propoxy-1,3,5-triazin-2-amine
SMILESCCCOc1nc(Cl)nc(N(C)CC2CCCN2C)n1
InChIInChI=1S/C13H22ClN5O/c1-4-8-20-13-16-11(14)15-12(17-13)19(3)9-10-6-5-7-18(10)2/h10H,4-9H2,1-3H3
InChIKeyJIGNUOVYWRTCQB-UHFFFAOYSA-N
MW299.81 g/mol
LogP1.84
Rot. Bonds6

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

4-chloro-N-methyl-N-[(1-methylpyrrolidin-2-yl)methyl]-6-propoxy-1,3,5-triazin-2-amine (PubChem CID 79315410) has the molecular formula C13H22ClN5O and a molecular weight of 299.81 g/mol. Its IUPAC name is 4-chloro-N-methyl-N-[(1-methylpyrrolidin-2-yl)methyl]-6-propoxy-1,3,5-triazin-2-amine.

Molecular Properties

Compound Name4-chloro-N-methyl-N-[(1-methylpyrrolidin-2-yl)methyl]-6-propoxy-1,3,5-triazin-2-amine
PubChem CID79315410
Molecular FormulaC13H22ClN5O
Molecular Weight299.81 g/mol
Exact Mass299.15
IUPAC Name4-chloro-N-methyl-N-[(1-methylpyrrolidin-2-yl)methyl]-6-propoxy-1,3,5-triazin-2-amine
SMILESCCCOc1nc(Cl)nc(N(C)CC2CCCN2C)n1
InChIInChI=1S/C13H22ClN5O/c1-4-8-20-13-16-11(14)15-12(17-13)19(3)9-10-6-5-7-18(10)2/h10H,4-9H2,1-3H3
InChIKeyJIGNUOVYWRTCQB-UHFFFAOYSA-N
XLogP1.84
TPSA54.38 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.81
LogP ≤ 51.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

6-ethoxy-2-N-methyl-2-N-[(1-methylpyrrolidin-2-yl)methyl]-1,3,5-triazine-2,4-diamine
CID 80848516
2-N-[(1-ethylpyrrolidin-2-yl)methyl]-2-N-methyl-6-propoxy-1,3,5-triazine-2,4-diamine
CID 80835031
6-methoxy-2-N-methyl-2-N-[(1-methylpyrrolidin-2-yl)methyl]-1,3,5-triazine-2,4-diamine
CID 80848203
4,6-dichloro-N-[(1-ethylpyrrolidin-2-yl)methyl]-N-methyl-1,3,5-triazin-2-amine
CID 79315342
1-[(4-chloro-6-propoxy-1,3,5-triazin-2-yl)-methylamino]-2-methylpropan-2-ol
CID 79386092
2-N,2-N-diethyl-4-N-methyl-4-N-[(1-methylpyrrolidin-2-yl)methyl]-1,3,5-triazine-2,4,6-triamine
CID 80835728
4-chloro-N-(4-ethylcyclohexyl)-N-methyl-6-propoxy-1,3,5-triazin-2-amine
CID 63548216
4-chloro-N-methyl-N-[(4-methylphenyl)methyl]-6-propoxy-1,3,5-triazin-2-amine
CID 62868348
4-chloro-N-(1-methylpiperidin-3-yl)-6-propoxy-1,3,5-triazin-2-amine
CID 62864239
2-N,4-N-dimethyl-2-N-[(1-methylpyrrolidin-2-yl)methyl]-6-propan-2-yloxy-1,3,5-triazine-2,4-diamine
CID 80835644
4-chloro-N,N-dimethyl-6-(2-pyrrolidin-1-ylethoxy)-1,3,5-triazin-2-amine
CID 62869815
6-chloro-N-methyl-N-[(1-methylpyrrolidin-2-yl)methyl]-5-propylpyrimidin-4-amine
CID 79315133

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-methyl-N-[(1-methylpyrrolidin-2-yl)methyl]-6-propoxy-1,3,5-triazin-2-amine?
The IUPAC name of 4-chloro-N-methyl-N-[(1-methylpyrrolidin-2-yl)methyl]-6-propoxy-1,3,5-triazin-2-amine (CID 79315410) is 4-chloro-N-methyl-N-[(1-methylpyrrolidin-2-yl)methyl]-6-propoxy-1,3,5-triazin-2-amine.
What is the SMILES notation for 4-chloro-N-methyl-N-[(1-methylpyrrolidin-2-yl)methyl]-6-propoxy-1,3,5-triazin-2-amine?
The canonical SMILES for 4-chloro-N-methyl-N-[(1-methylpyrrolidin-2-yl)methyl]-6-propoxy-1,3,5-triazin-2-amine is CCCOc1nc(Cl)nc(N(C)CC2CCCN2C)n1.
What is the InChIKey of 4-chloro-N-methyl-N-[(1-methylpyrrolidin-2-yl)methyl]-6-propoxy-1,3,5-triazin-2-amine?
The InChIKey is JIGNUOVYWRTCQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22ClN5O/c1-4-8-20-13-16-11(14)15-12(17-13)19(3)9-10-6-5-7-18(10)2/h10H,4-9H2,1-3H3.
What are the key properties of 4-chloro-N-methyl-N-[(1-methylpyrrolidin-2-yl)methyl]-6-propoxy-1,3,5-triazin-2-amine?
4-chloro-N-methyl-N-[(1-methylpyrrolidin-2-yl)methyl]-6-propoxy-1,3,5-triazin-2-amine has a molecular weight of 299.81 g/mol, XLogP of 1.84, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-methyl-N-[(1-methylpyrrolidin-2-yl)methyl]-6-propoxy-1,3,5-triazin-2-amine is sourced from PubChem (CID 79315410), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).