5-[[4-(2-chlorophenoxy)piperidin-1-yl]methyl]-N-ethylpyrimidin-2-amine

C18H23ClN4O — CID 56910012

IUPAC5-[[4-(2-chlorophenoxy)piperidin-1-yl]methyl]-N-ethylpyrimidin-2-amine
SMILESCCNc1ncc(CN2CCC(Oc3ccccc3Cl)CC2)cn1
InChIInChI=1S/C18H23ClN4O/c1-2-20-18-21-11-14(12-22-18)13-23-9-7-15(8-10-23)24-17-6-4-3-5-16(17)19/h3-6,11-12,15H,2,7-10,13H2,1H3,(H,20,21,22)
InChIKeyVPTMUYQVKBXCMZ-UHFFFAOYSA-N
MW346.86 g/mol
LogP3.61
Rot. Bonds6

About 5-[[4-(2-chlorophenoxy)piperidin-1-yl]methyl]-N-ethylpyrimidin-2-amine

5-[[4-(2-chlorophenoxy)piperidin-1-yl]methyl]-N-ethylpyrimidin-2-amine (PubChem CID 56910012) has the molecular formula C18H23ClN4O and a molecular weight of 346.86 g/mol. Its IUPAC name is 5-[[4-(2-chlorophenoxy)piperidin-1-yl]methyl]-N-ethylpyrimidin-2-amine.

Molecular Properties

Compound Name5-[[4-(2-chlorophenoxy)piperidin-1-yl]methyl]-N-ethylpyrimidin-2-amine
PubChem CID56910012
Molecular FormulaC18H23ClN4O
Molecular Weight346.86 g/mol
Exact Mass346.16
IUPAC Name5-[[4-(2-chlorophenoxy)piperidin-1-yl]methyl]-N-ethylpyrimidin-2-amine
SMILESCCNc1ncc(CN2CCC(Oc3ccccc3Cl)CC2)cn1
InChIInChI=1S/C18H23ClN4O/c1-2-20-18-21-11-14(12-22-18)13-23-9-7-15(8-10-23)24-17-6-4-3-5-16(17)19/h3-6,11-12,15H,2,7-10,13H2,1H3,(H,20,21,22)
InChIKeyVPTMUYQVKBXCMZ-UHFFFAOYSA-N
XLogP3.61
TPSA50.28 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.86
LogP ≤ 53.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-N-(1-benzylpiperidin-4-yl)-5-chloro-2-N-ethylpyrimidine-2,4-diamine
CID 113258960
4-(2-chlorophenoxy)-1-(1H-imidazol-2-ylmethyl)piperidine
CID 56902522
N-ethyl-5-[[4-[(4-fluorophenyl)methyl]-1,4-diazepan-1-yl]methyl]pyrimidin-2-amine
CID 56901818
2-N-(1-benzylpiperidin-4-yl)-6-chloro-4-N-ethyl-1,3,5-triazine-2,4-diamine
CID 113258961
5-[(4-ethoxypiperidin-1-yl)methyl]-N-ethylpyridin-2-amine
CID 62183322
2-[4-(2-chlorophenoxy)piperidin-1-yl]-5-propyl-1,3,4-oxadiazole
CID 72839343
4-(2-chlorophenoxy)-N-ethylcyclohexan-1-amine
CID 141084041
3-[[3-(2-chlorophenoxy)pyrrolidin-1-yl]methyl]-2-methylpyridine
CID 126774849
4-[[3-(2-chlorophenoxy)pyrrolidin-1-yl]methyl]-1-methylimidazole
CID 167942848
3-(2-chlorophenoxy)-N-ethylcyclohexan-1-amine
CID 79618026
3-[[4-(2-methylphenoxy)piperidin-1-yl]methyl]pyridine
CID 56892936
4-N-(1-benzylpiperidin-4-yl)-2-N-ethylpyrimidine-2,4-diamine
CID 117092145

Frequently Asked Questions

What is the IUPAC name of 5-[[4-(2-chlorophenoxy)piperidin-1-yl]methyl]-N-ethylpyrimidin-2-amine?
The IUPAC name of 5-[[4-(2-chlorophenoxy)piperidin-1-yl]methyl]-N-ethylpyrimidin-2-amine (CID 56910012) is 5-[[4-(2-chlorophenoxy)piperidin-1-yl]methyl]-N-ethylpyrimidin-2-amine.
What is the SMILES notation for 5-[[4-(2-chlorophenoxy)piperidin-1-yl]methyl]-N-ethylpyrimidin-2-amine?
The canonical SMILES for 5-[[4-(2-chlorophenoxy)piperidin-1-yl]methyl]-N-ethylpyrimidin-2-amine is CCNc1ncc(CN2CCC(Oc3ccccc3Cl)CC2)cn1.
What is the InChIKey of 5-[[4-(2-chlorophenoxy)piperidin-1-yl]methyl]-N-ethylpyrimidin-2-amine?
The InChIKey is VPTMUYQVKBXCMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23ClN4O/c1-2-20-18-21-11-14(12-22-18)13-23-9-7-15(8-10-23)24-17-6-4-3-5-16(17)19/h3-6,11-12,15H,2,7-10,13H2,1H3,(H,20,21,22).
What are the key properties of 5-[[4-(2-chlorophenoxy)piperidin-1-yl]methyl]-N-ethylpyrimidin-2-amine?
5-[[4-(2-chlorophenoxy)piperidin-1-yl]methyl]-N-ethylpyrimidin-2-amine has a molecular weight of 346.86 g/mol, XLogP of 3.61, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[4-(2-chlorophenoxy)piperidin-1-yl]methyl]-N-ethylpyrimidin-2-amine is sourced from PubChem (CID 56910012), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).