4-[2-[4-(3,4-dichlorophenoxy)piperidin-1-yl]ethyl]-6-methylpyrimidin-2-amine

C18H22Cl2N4O — CID 22322235

IUPAC4-[2-[4-(3,4-dichlorophenoxy)piperidin-1-yl]ethyl]-6-methylpyrimidin-2-amine
SMILESCc1cc(CCN2CCC(Oc3ccc(Cl)c(Cl)c3)CC2)nc(N)n1
InChIInChI=1S/C18H22Cl2N4O/c1-12-10-13(23-18(21)22-12)4-7-24-8-5-14(6-9-24)25-15-2-3-16(19)17(20)11-15/h2-3,10-11,14H,4-9H2,1H3,(H2,21,22,23)
InChIKeyMJOIXZYUCYDVOG-UHFFFAOYSA-N
MW381.31 g/mol
LogP3.76
Rot. Bonds5

About 4-[2-[4-(3,4-dichlorophenoxy)piperidin-1-yl]ethyl]-6-methylpyrimidin-2-amine

4-[2-[4-(3,4-dichlorophenoxy)piperidin-1-yl]ethyl]-6-methylpyrimidin-2-amine (PubChem CID 22322235) has the molecular formula C18H22Cl2N4O and a molecular weight of 381.31 g/mol. Its IUPAC name is 4-[2-[4-(3,4-dichlorophenoxy)piperidin-1-yl]ethyl]-6-methylpyrimidin-2-amine.

Molecular Properties

Compound Name4-[2-[4-(3,4-dichlorophenoxy)piperidin-1-yl]ethyl]-6-methylpyrimidin-2-amine
PubChem CID22322235
Molecular FormulaC18H22Cl2N4O
Molecular Weight381.31 g/mol
Exact Mass380.12
IUPAC Name4-[2-[4-(3,4-dichlorophenoxy)piperidin-1-yl]ethyl]-6-methylpyrimidin-2-amine
SMILESCc1cc(CCN2CCC(Oc3ccc(Cl)c(Cl)c3)CC2)nc(N)n1
InChIInChI=1S/C18H22Cl2N4O/c1-12-10-13(23-18(21)22-12)4-7-24-8-5-14(6-9-24)25-15-2-3-16(19)17(20)11-15/h2-3,10-11,14H,4-9H2,1H3,(H2,21,22,23)
InChIKeyMJOIXZYUCYDVOG-UHFFFAOYSA-N
XLogP3.76
TPSA64.27 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.31
LogP ≤ 53.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

CID 44531381
CID 44531381
CID 2796061
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CID 14724240
CID 14724240
CID 766339
CID 766339
CID 22732437
CID 22732437
CID 3025157
CID 3025157
CID 25769104
CID 25769104
CID 91787829
CID 91787829
CID 3756228
CID 3756228
CID 91768299
CID 91768299
CID 164642463
CID 164642463
CID 22322236
CID 22322236

Frequently Asked Questions

What is the IUPAC name of 4-[2-[4-(3,4-dichlorophenoxy)piperidin-1-yl]ethyl]-6-methylpyrimidin-2-amine?
The IUPAC name of 4-[2-[4-(3,4-dichlorophenoxy)piperidin-1-yl]ethyl]-6-methylpyrimidin-2-amine (CID 22322235) is 4-[2-[4-(3,4-dichlorophenoxy)piperidin-1-yl]ethyl]-6-methylpyrimidin-2-amine.
What is the SMILES notation for 4-[2-[4-(3,4-dichlorophenoxy)piperidin-1-yl]ethyl]-6-methylpyrimidin-2-amine?
The canonical SMILES for 4-[2-[4-(3,4-dichlorophenoxy)piperidin-1-yl]ethyl]-6-methylpyrimidin-2-amine is Cc1cc(CCN2CCC(Oc3ccc(Cl)c(Cl)c3)CC2)nc(N)n1.
What is the InChIKey of 4-[2-[4-(3,4-dichlorophenoxy)piperidin-1-yl]ethyl]-6-methylpyrimidin-2-amine?
The InChIKey is MJOIXZYUCYDVOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22Cl2N4O/c1-12-10-13(23-18(21)22-12)4-7-24-8-5-14(6-9-24)25-15-2-3-16(19)17(20)11-15/h2-3,10-11,14H,4-9H2,1H3,(H2,21,22,23).
What are the key properties of 4-[2-[4-(3,4-dichlorophenoxy)piperidin-1-yl]ethyl]-6-methylpyrimidin-2-amine?
4-[2-[4-(3,4-dichlorophenoxy)piperidin-1-yl]ethyl]-6-methylpyrimidin-2-amine has a molecular weight of 381.31 g/mol, XLogP of 3.76, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-[4-(3,4-dichlorophenoxy)piperidin-1-yl]ethyl]-6-methylpyrimidin-2-amine is sourced from PubChem (CID 22322235), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).