4-chloro-N-[(1-ethylpiperidin-4-yl)methyl]-6-propan-2-yloxy-1,3,5-triazin-2-amine

C14H24ClN5O — CID 62865015

IUPAC4-chloro-N-[(1-ethylpiperidin-4-yl)methyl]-6-propan-2-yloxy-1,3,5-triazin-2-amine
SMILESCCN1CCC(CNc2nc(Cl)nc(OC(C)C)n2)CC1
InChIInChI=1S/C14H24ClN5O/c1-4-20-7-5-11(6-8-20)9-16-13-17-12(15)18-14(19-13)21-10(2)3/h10-11H,4-9H2,1-3H3,(H,16,17,18,19)
InChIKeyJVIKAXUIVJSUGQ-UHFFFAOYSA-N
MW313.83 g/mol
LogP2.46
Rot. Bonds6

About 4-chloro-N-[(1-ethylpiperidin-4-yl)methyl]-6-propan-2-yloxy-1,3,5-triazin-2-amine

4-chloro-N-[(1-ethylpiperidin-4-yl)methyl]-6-propan-2-yloxy-1,3,5-triazin-2-amine (PubChem CID 62865015) has the molecular formula C14H24ClN5O and a molecular weight of 313.83 g/mol. Its IUPAC name is 4-chloro-N-[(1-ethylpiperidin-4-yl)methyl]-6-propan-2-yloxy-1,3,5-triazin-2-amine.

Molecular Properties

Compound Name4-chloro-N-[(1-ethylpiperidin-4-yl)methyl]-6-propan-2-yloxy-1,3,5-triazin-2-amine
PubChem CID62865015
Molecular FormulaC14H24ClN5O
Molecular Weight313.83 g/mol
Exact Mass313.17
IUPAC Name4-chloro-N-[(1-ethylpiperidin-4-yl)methyl]-6-propan-2-yloxy-1,3,5-triazin-2-amine
SMILESCCN1CCC(CNc2nc(Cl)nc(OC(C)C)n2)CC1
InChIInChI=1S/C14H24ClN5O/c1-4-20-7-5-11(6-8-20)9-16-13-17-12(15)18-14(19-13)21-10(2)3/h10-11H,4-9H2,1-3H3,(H,16,17,18,19)
InChIKeyJVIKAXUIVJSUGQ-UHFFFAOYSA-N
XLogP2.46
TPSA63.17 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.83
LogP ≤ 52.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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

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Related Compounds

4-chloro-N-[(4-ethylcyclohexyl)methyl]-6-propan-2-yloxy-1,3,5-triazin-2-amine
CID 63548907
6-chloro-2-N-[(1-ethylpiperidin-4-yl)methyl]-4-N-methyl-1,3,5-triazine-2,4-diamine
CID 80811735
4-chloro-N-[(1-ethylpyrrolidin-3-yl)methyl]-6-propoxy-1,3,5-triazin-2-amine
CID 62865100
6-chloro-4-N-[(1-ethylpiperidin-4-yl)methyl]-2-N,2-N-dimethyl-1,3,5-triazine-2,4-diamine
CID 62865016
3-[[(4-chloro-6-propan-2-yloxy-1,3,5-triazin-2-yl)amino]methyl]cyclohexan-1-ol
CID 106137358
4-chloro-6-ethoxy-N-[(1-propan-2-ylpyrrolidin-3-yl)methyl]-1,3,5-triazin-2-amine
CID 62858554
2-chloro-4-(4-ethylpiperazin-1-yl)-6-propan-2-yloxy-1,3,5-triazine
CID 62869517
6-chloro-4-N-[(1-ethylpyrrolidin-3-yl)methyl]-2-N,2-N-dimethyl-1,3,5-triazine-2,4-diamine
CID 62865283
2-N-(cyclopropylmethyl)-6-propan-2-yloxy-1,3,5-triazine-2,4-diamine
CID 80770389
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
6-chloro-4-N-ethyl-2-N-[(1-methylpiperidin-4-yl)methyl]-1,3,5-triazine-2,4-diamine
CID 80811730

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-[(1-ethylpiperidin-4-yl)methyl]-6-propan-2-yloxy-1,3,5-triazin-2-amine?
The IUPAC name of 4-chloro-N-[(1-ethylpiperidin-4-yl)methyl]-6-propan-2-yloxy-1,3,5-triazin-2-amine (CID 62865015) is 4-chloro-N-[(1-ethylpiperidin-4-yl)methyl]-6-propan-2-yloxy-1,3,5-triazin-2-amine.
What is the SMILES notation for 4-chloro-N-[(1-ethylpiperidin-4-yl)methyl]-6-propan-2-yloxy-1,3,5-triazin-2-amine?
The canonical SMILES for 4-chloro-N-[(1-ethylpiperidin-4-yl)methyl]-6-propan-2-yloxy-1,3,5-triazin-2-amine is CCN1CCC(CNc2nc(Cl)nc(OC(C)C)n2)CC1.
What is the InChIKey of 4-chloro-N-[(1-ethylpiperidin-4-yl)methyl]-6-propan-2-yloxy-1,3,5-triazin-2-amine?
The InChIKey is JVIKAXUIVJSUGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24ClN5O/c1-4-20-7-5-11(6-8-20)9-16-13-17-12(15)18-14(19-13)21-10(2)3/h10-11H,4-9H2,1-3H3,(H,16,17,18,19).
What are the key properties of 4-chloro-N-[(1-ethylpiperidin-4-yl)methyl]-6-propan-2-yloxy-1,3,5-triazin-2-amine?
4-chloro-N-[(1-ethylpiperidin-4-yl)methyl]-6-propan-2-yloxy-1,3,5-triazin-2-amine has a molecular weight of 313.83 g/mol, XLogP of 2.46, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-[(1-ethylpiperidin-4-yl)methyl]-6-propan-2-yloxy-1,3,5-triazin-2-amine is sourced from PubChem (CID 62865015), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).