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

C13H22ClN5O — CID 62865100

IUPAC4-chloro-N-[(1-ethylpyrrolidin-3-yl)methyl]-6-propoxy-1,3,5-triazin-2-amine
SMILESCCCOc1nc(Cl)nc(NCC2CCN(CC)C2)n1
InChIInChI=1S/C13H22ClN5O/c1-3-7-20-13-17-11(14)16-12(18-13)15-8-10-5-6-19(4-2)9-10/h10H,3-9H2,1-2H3,(H,15,16,17,18)
InChIKeyMWXFLVITGXWGAQ-UHFFFAOYSA-N
MW299.81 g/mol
LogP2.07
Rot. Bonds7

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

4-chloro-N-[(1-ethylpyrrolidin-3-yl)methyl]-6-propoxy-1,3,5-triazin-2-amine (PubChem CID 62865100) has the molecular formula C13H22ClN5O and a molecular weight of 299.81 g/mol. Its IUPAC name is 4-chloro-N-[(1-ethylpyrrolidin-3-yl)methyl]-6-propoxy-1,3,5-triazin-2-amine.

Molecular Properties

Compound Name4-chloro-N-[(1-ethylpyrrolidin-3-yl)methyl]-6-propoxy-1,3,5-triazin-2-amine
PubChem CID62865100
Molecular FormulaC13H22ClN5O
Molecular Weight299.81 g/mol
Exact Mass299.15
IUPAC Name4-chloro-N-[(1-ethylpyrrolidin-3-yl)methyl]-6-propoxy-1,3,5-triazin-2-amine
SMILESCCCOc1nc(Cl)nc(NCC2CCN(CC)C2)n1
InChIInChI=1S/C13H22ClN5O/c1-3-7-20-13-17-11(14)16-12(18-13)15-8-10-5-6-19(4-2)9-10/h10H,3-9H2,1-2H3,(H,15,16,17,18)
InChIKeyMWXFLVITGXWGAQ-UHFFFAOYSA-N
XLogP2.07
TPSA63.17 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.81
LogP ≤ 52.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

4-chloro-N-[(3-methylcyclopentyl)methyl]-6-propoxy-1,3,5-triazin-2-amine
CID 107414801
6-chloro-4-N-[(1-ethylpyrrolidin-3-yl)methyl]-2-N,2-N-dimethyl-1,3,5-triazine-2,4-diamine
CID 62865283
4-chloro-N-[(1-ethylpiperidin-4-yl)methyl]-6-propan-2-yloxy-1,3,5-triazin-2-amine
CID 62865015
4-chloro-6-ethoxy-N-[(1-propan-2-ylpyrrolidin-3-yl)methyl]-1,3,5-triazin-2-amine
CID 62858554
4-chloro-6-ethoxy-N-[(1-methylpiperidin-3-yl)methyl]-1,3,5-triazin-2-amine
CID 55124369
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-[2-(4-methylpiperidin-1-yl)ethyl]-6-propoxy-1,3,5-triazin-2-amine
CID 106193903
6-chloro-2-N-[(1-ethylpiperidin-4-yl)methyl]-4-N-methyl-1,3,5-triazine-2,4-diamine
CID 80811735
6-chloro-4-N-[(1-ethylpiperidin-4-yl)methyl]-2-N,2-N-dimethyl-1,3,5-triazine-2,4-diamine
CID 62865016
4-chloro-N-(1-methylpiperidin-3-yl)-6-propoxy-1,3,5-triazin-2-amine
CID 62864239
4-chloro-6-ethoxy-N-(oxan-4-ylmethyl)-1,3,5-triazin-2-amine
CID 63706907
4-chloro-N-cyclopentyl-6-propoxy-1,3,5-triazin-2-amine
CID 55124107

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-[(1-ethylpyrrolidin-3-yl)methyl]-6-propoxy-1,3,5-triazin-2-amine?
The IUPAC name of 4-chloro-N-[(1-ethylpyrrolidin-3-yl)methyl]-6-propoxy-1,3,5-triazin-2-amine (CID 62865100) is 4-chloro-N-[(1-ethylpyrrolidin-3-yl)methyl]-6-propoxy-1,3,5-triazin-2-amine.
What is the SMILES notation for 4-chloro-N-[(1-ethylpyrrolidin-3-yl)methyl]-6-propoxy-1,3,5-triazin-2-amine?
The canonical SMILES for 4-chloro-N-[(1-ethylpyrrolidin-3-yl)methyl]-6-propoxy-1,3,5-triazin-2-amine is CCCOc1nc(Cl)nc(NCC2CCN(CC)C2)n1.
What is the InChIKey of 4-chloro-N-[(1-ethylpyrrolidin-3-yl)methyl]-6-propoxy-1,3,5-triazin-2-amine?
The InChIKey is MWXFLVITGXWGAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22ClN5O/c1-3-7-20-13-17-11(14)16-12(18-13)15-8-10-5-6-19(4-2)9-10/h10H,3-9H2,1-2H3,(H,15,16,17,18).
What are the key properties of 4-chloro-N-[(1-ethylpyrrolidin-3-yl)methyl]-6-propoxy-1,3,5-triazin-2-amine?
4-chloro-N-[(1-ethylpyrrolidin-3-yl)methyl]-6-propoxy-1,3,5-triazin-2-amine has a molecular weight of 299.81 g/mol, XLogP of 2.07, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-[(1-ethylpyrrolidin-3-yl)methyl]-6-propoxy-1,3,5-triazin-2-amine is sourced from PubChem (CID 62865100), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).