[1-[4-chloro-6-(3-methoxyanilino)-1,3,5-triazin-2-yl]-4-methylpiperidin-3-yl]methanol

C17H22ClN5O2 — CID 11726257

IUPAC[1-[4-chloro-6-(3-methoxyanilino)-1,3,5-triazin-2-yl]-4-methylpiperidin-3-yl]methanol
SMILESCOc1cccc(Nc2nc(Cl)nc(N3CCC(C)C(CO)C3)n2)c1
InChIInChI=1S/C17H22ClN5O2/c1-11-6-7-23(9-12(11)10-24)17-21-15(18)20-16(22-17)19-13-4-3-5-14(8-13)25-2/h3-5,8,11-12,24H,6-7,9-10H2,1-2H3,(H,19,20,21,22)
InChIKeyMPCKFDKAXIWODH-UHFFFAOYSA-N
MW363.85 g/mol
LogP2.73
Rot. Bonds5

About [1-[4-chloro-6-(3-methoxyanilino)-1,3,5-triazin-2-yl]-4-methylpiperidin-3-yl]methanol

[1-[4-chloro-6-(3-methoxyanilino)-1,3,5-triazin-2-yl]-4-methylpiperidin-3-yl]methanol (PubChem CID 11726257) has the molecular formula C17H22ClN5O2 and a molecular weight of 363.85 g/mol. Its IUPAC name is [1-[4-chloro-6-(3-methoxyanilino)-1,3,5-triazin-2-yl]-4-methylpiperidin-3-yl]methanol.

Molecular Properties

Compound Name[1-[4-chloro-6-(3-methoxyanilino)-1,3,5-triazin-2-yl]-4-methylpiperidin-3-yl]methanol
PubChem CID11726257
Molecular FormulaC17H22ClN5O2
Molecular Weight363.85 g/mol
Exact Mass363.15
IUPAC Name[1-[4-chloro-6-(3-methoxyanilino)-1,3,5-triazin-2-yl]-4-methylpiperidin-3-yl]methanol
SMILESCOc1cccc(Nc2nc(Cl)nc(N3CCC(C)C(CO)C3)n2)c1
InChIInChI=1S/C17H22ClN5O2/c1-11-6-7-23(9-12(11)10-24)17-21-15(18)20-16(22-17)19-13-4-3-5-14(8-13)25-2/h3-5,8,11-12,24H,6-7,9-10H2,1-2H3,(H,19,20,21,22)
InChIKeyMPCKFDKAXIWODH-UHFFFAOYSA-N
XLogP2.73
TPSA83.40 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.85
LogP ≤ 52.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

6-chloro-2-N-(3-methoxyphenyl)-1,3,5-triazine-2,4-diamine
CID 80762521
4-chloro-N-(3-methoxyphenyl)-6-(1,2,4-triazol-1-yl)-1,3,5-triazin-2-amine
CID 62868168
2-N,4-N-bis(3-methoxyphenyl)-6-morpholin-4-yl-1,3,5-triazine-2,4-diamine;dihydrochloride
CID 45136690
6-chloro-2-N,2-N-diethyl-4-N-(3-methoxyphenyl)-1,3,5-triazine-2,4-diamine
CID 62868330
2-N-(3-chloro-4-methylphenyl)-4-N-(3-methoxyphenyl)-6-morpholin-4-yl-1,3,5-triazine-2,4-diamine
CID 18580190
4-chloro-N-(3-chloro-4-methoxyphenyl)-6-[4-(4-methoxyphenyl)piperazin-1-yl]-1,3,5-triazin-2-amine
CID 1256691
4-chloro-N-(3-iodophenyl)-6-pyrrolidin-1-yl-1,3,5-triazin-2-amine
CID 62870369
4-N-(4-ethylphenyl)-2-N-(3-methoxyphenyl)-6-morpholin-4-yl-1,3,5-triazine-2,4-diamine
CID 18580284
2-N-(3-fluorophenyl)-4-N-(3-methoxyphenyl)-6-morpholin-4-yl-1,3,5-triazine-2,4-diamine;hydrochloride
CID 18580341
6-[(4-benzylpiperazin-1-yl)methyl]-2-N-(3-methoxyphenyl)-1,3,5-triazine-2,4-diamine
CID 3162730
(NZ)-N-[2-[[4-chloro-6-(3-methoxyanilino)-1,3,5-triazin-2-yl]amino]-1-phenylethylidene]hydroxylamine
CID 11740767
N-(3-methoxyphenyl)-4-(3-methylpiperidin-1-yl)-6-phenylpyrimidin-2-amine
CID 112938030

Frequently Asked Questions

What is the IUPAC name of [1-[4-chloro-6-(3-methoxyanilino)-1,3,5-triazin-2-yl]-4-methylpiperidin-3-yl]methanol?
The IUPAC name of [1-[4-chloro-6-(3-methoxyanilino)-1,3,5-triazin-2-yl]-4-methylpiperidin-3-yl]methanol (CID 11726257) is [1-[4-chloro-6-(3-methoxyanilino)-1,3,5-triazin-2-yl]-4-methylpiperidin-3-yl]methanol.
What is the SMILES notation for [1-[4-chloro-6-(3-methoxyanilino)-1,3,5-triazin-2-yl]-4-methylpiperidin-3-yl]methanol?
The canonical SMILES for [1-[4-chloro-6-(3-methoxyanilino)-1,3,5-triazin-2-yl]-4-methylpiperidin-3-yl]methanol is COc1cccc(Nc2nc(Cl)nc(N3CCC(C)C(CO)C3)n2)c1.
What is the InChIKey of [1-[4-chloro-6-(3-methoxyanilino)-1,3,5-triazin-2-yl]-4-methylpiperidin-3-yl]methanol?
The InChIKey is MPCKFDKAXIWODH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22ClN5O2/c1-11-6-7-23(9-12(11)10-24)17-21-15(18)20-16(22-17)19-13-4-3-5-14(8-13)25-2/h3-5,8,11-12,24H,6-7,9-10H2,1-2H3,(H,19,20,21,22).
What are the key properties of [1-[4-chloro-6-(3-methoxyanilino)-1,3,5-triazin-2-yl]-4-methylpiperidin-3-yl]methanol?
[1-[4-chloro-6-(3-methoxyanilino)-1,3,5-triazin-2-yl]-4-methylpiperidin-3-yl]methanol has a molecular weight of 363.85 g/mol, XLogP of 2.73, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[4-chloro-6-(3-methoxyanilino)-1,3,5-triazin-2-yl]-4-methylpiperidin-3-yl]methanol is sourced from PubChem (CID 11726257), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).