4-chloro-2-(methoxymethyl)-6-[4-(4-methoxyphenoxy)piperidin-1-yl]-5-methylpyrimidine

C19H24ClN3O3 — CID 135153923

IUPAC4-chloro-2-(methoxymethyl)-6-[4-(4-methoxyphenoxy)piperidin-1-yl]-5-methylpyrimidine
SMILESCOCc1nc(Cl)c(C)c(N2CCC(Oc3ccc(OC)cc3)CC2)n1
InChIInChI=1S/C19H24ClN3O3/c1-13-18(20)21-17(12-24-2)22-19(13)23-10-8-16(9-11-23)26-15-6-4-14(25-3)5-7-15/h4-7,16H,8-12H2,1-3H3
InChIKeyQYFFLZRSOBDPJD-UHFFFAOYSA-N
MW377.87 g/mol
LogP3.64
Rot. Bonds6

About 4-chloro-2-(methoxymethyl)-6-[4-(4-methoxyphenoxy)piperidin-1-yl]-5-methylpyrimidine

4-chloro-2-(methoxymethyl)-6-[4-(4-methoxyphenoxy)piperidin-1-yl]-5-methylpyrimidine (PubChem CID 135153923) has the molecular formula C19H24ClN3O3 and a molecular weight of 377.87 g/mol. Its IUPAC name is 4-chloro-2-(methoxymethyl)-6-[4-(4-methoxyphenoxy)piperidin-1-yl]-5-methylpyrimidine.

Molecular Properties

Compound Name4-chloro-2-(methoxymethyl)-6-[4-(4-methoxyphenoxy)piperidin-1-yl]-5-methylpyrimidine
PubChem CID135153923
Molecular FormulaC19H24ClN3O3
Molecular Weight377.87 g/mol
Exact Mass377.15
IUPAC Name4-chloro-2-(methoxymethyl)-6-[4-(4-methoxyphenoxy)piperidin-1-yl]-5-methylpyrimidine
SMILESCOCc1nc(Cl)c(C)c(N2CCC(Oc3ccc(OC)cc3)CC2)n1
InChIInChI=1S/C19H24ClN3O3/c1-13-18(20)21-17(12-24-2)22-19(13)23-10-8-16(9-11-23)26-15-6-4-14(25-3)5-7-15/h4-7,16H,8-12H2,1-3H3
InChIKeyQYFFLZRSOBDPJD-UHFFFAOYSA-N
XLogP3.64
TPSA56.71 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.87
LogP ≤ 53.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-2-(methoxymethyl)-6-[4-(4-methoxyphenoxy)piperidin-1-yl]-5-methylpyrimidine?
The IUPAC name of 4-chloro-2-(methoxymethyl)-6-[4-(4-methoxyphenoxy)piperidin-1-yl]-5-methylpyrimidine (CID 135153923) is 4-chloro-2-(methoxymethyl)-6-[4-(4-methoxyphenoxy)piperidin-1-yl]-5-methylpyrimidine.
What is the SMILES notation for 4-chloro-2-(methoxymethyl)-6-[4-(4-methoxyphenoxy)piperidin-1-yl]-5-methylpyrimidine?
The canonical SMILES for 4-chloro-2-(methoxymethyl)-6-[4-(4-methoxyphenoxy)piperidin-1-yl]-5-methylpyrimidine is COCc1nc(Cl)c(C)c(N2CCC(Oc3ccc(OC)cc3)CC2)n1.
What is the InChIKey of 4-chloro-2-(methoxymethyl)-6-[4-(4-methoxyphenoxy)piperidin-1-yl]-5-methylpyrimidine?
The InChIKey is QYFFLZRSOBDPJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24ClN3O3/c1-13-18(20)21-17(12-24-2)22-19(13)23-10-8-16(9-11-23)26-15-6-4-14(25-3)5-7-15/h4-7,16H,8-12H2,1-3H3.
What are the key properties of 4-chloro-2-(methoxymethyl)-6-[4-(4-methoxyphenoxy)piperidin-1-yl]-5-methylpyrimidine?
4-chloro-2-(methoxymethyl)-6-[4-(4-methoxyphenoxy)piperidin-1-yl]-5-methylpyrimidine has a molecular weight of 377.87 g/mol, XLogP of 3.64, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-2-(methoxymethyl)-6-[4-(4-methoxyphenoxy)piperidin-1-yl]-5-methylpyrimidine is sourced from PubChem (CID 135153923), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).