6-[1-(6-chloro-2,5-dimethylpyrimidin-4-yl)piperidin-4-yl]oxy-3,4-dihydro-2H-1,4-benzoxazine

C19H23ClN4O2 — CID 142386880

IUPAC6-[1-(6-chloro-2,5-dimethylpyrimidin-4-yl)piperidin-4-yl]oxy-3,4-dihydro-2H-1,4-benzoxazine
SMILESCc1nc(Cl)c(C)c(N2CCC(Oc3ccc4c(c3)NCCO4)CC2)n1
InChIInChI=1S/C19H23ClN4O2/c1-12-18(20)22-13(2)23-19(12)24-8-5-14(6-9-24)26-15-3-4-17-16(11-15)21-7-10-25-17/h3-4,11,14,21H,5-10H2,1-2H3
InChIKeyKVDNTYYBWAAKQU-UHFFFAOYSA-N
MW374.87 g/mol
LogP3.60
Rot. Bonds3

About 6-[1-(6-chloro-2,5-dimethylpyrimidin-4-yl)piperidin-4-yl]oxy-3,4-dihydro-2H-1,4-benzoxazine

6-[1-(6-chloro-2,5-dimethylpyrimidin-4-yl)piperidin-4-yl]oxy-3,4-dihydro-2H-1,4-benzoxazine (PubChem CID 142386880) has the molecular formula C19H23ClN4O2 and a molecular weight of 374.87 g/mol. Its IUPAC name is 6-[1-(6-chloro-2,5-dimethylpyrimidin-4-yl)piperidin-4-yl]oxy-3,4-dihydro-2H-1,4-benzoxazine.

Molecular Properties

Compound Name6-[1-(6-chloro-2,5-dimethylpyrimidin-4-yl)piperidin-4-yl]oxy-3,4-dihydro-2H-1,4-benzoxazine
PubChem CID142386880
Molecular FormulaC19H23ClN4O2
Molecular Weight374.87 g/mol
Exact Mass374.15
IUPAC Name6-[1-(6-chloro-2,5-dimethylpyrimidin-4-yl)piperidin-4-yl]oxy-3,4-dihydro-2H-1,4-benzoxazine
SMILESCc1nc(Cl)c(C)c(N2CCC(Oc3ccc4c(c3)NCCO4)CC2)n1
InChIInChI=1S/C19H23ClN4O2/c1-12-18(20)22-13(2)23-19(12)24-8-5-14(6-9-24)26-15-3-4-17-16(11-15)21-7-10-25-17/h3-4,11,14,21H,5-10H2,1-2H3
InChIKeyKVDNTYYBWAAKQU-UHFFFAOYSA-N
XLogP3.60
TPSA59.51 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.87
LogP ≤ 53.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 6-[1-(6-chloro-2,5-dimethylpyrimidin-4-yl)piperidin-4-yl]oxy-3,4-dihydro-2H-1,4-benzoxazine with MolForge

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Related Compounds

4-chloro-2-cyclopropyl-6-[4-(4-methoxyphenoxy)piperidin-1-yl]-5-methylpyrimidine
CID 135154119
[4-chloro-6-[4-(3,4-dimethylphenoxy)piperidin-1-yl]-5-methylpyrimidin-2-yl]methanol
CID 142380150
[4-chloro-5-methyl-6-[4-(1-methylindol-5-yl)oxypiperidin-1-yl]pyrimidin-2-yl]methanol
CID 135154866
1-(6-chloro-2,5-dimethylpyrimidin-4-yl)piperidin-4-ol
CID 63735099
7-[1-[6-chloro-2-(hydroxymethyl)-5-methylpyrimidin-4-yl]piperidin-4-yl]oxy-3,4-dihydro-2H-naphthalen-1-one
CID 135171035
4-(4-tert-butylpiperidin-1-yl)-6-chloro-2,5-dimethylpyrimidine
CID 55230084
2-[4-(2,3-dihydro-1,4-benzodioxin-6-yloxy)piperidin-1-yl]-3,7-dimethylpyrimido[1,2-a]pyrimidin-6-one
CID 178171859
6-[4-(2,3-dihydro-1-benzofuran-5-yloxy)piperidin-1-yl]-7-methyl-[1,2,4]triazolo[1,5-b]pyridazine
CID 177019887
7-[1-[6-chloro-2-(hydroxymethyl)-5-methylpyrimidin-4-yl]piperidin-4-yl]oxy-2-methyl-3,4-dihydroisoquinolin-1-one
CID 135171381
4-[4-(4-fluorophenoxy)piperidin-1-yl]-2,6-dimethylpyrimidine
CID 133345860
4-chloro-2,5-dimethyl-6-(4-phenylpiperazin-1-yl)pyrimidine
CID 63735915
2-[4-(3-chloro-4-methylphenoxy)piperidin-1-yl]-3-methyl-6,7-dihydropyrrolo[3,4-b]pyridin-5-one
CID 129277559

Frequently Asked Questions

What is the IUPAC name of 6-[1-(6-chloro-2,5-dimethylpyrimidin-4-yl)piperidin-4-yl]oxy-3,4-dihydro-2H-1,4-benzoxazine?
The IUPAC name of 6-[1-(6-chloro-2,5-dimethylpyrimidin-4-yl)piperidin-4-yl]oxy-3,4-dihydro-2H-1,4-benzoxazine (CID 142386880) is 6-[1-(6-chloro-2,5-dimethylpyrimidin-4-yl)piperidin-4-yl]oxy-3,4-dihydro-2H-1,4-benzoxazine.
What is the SMILES notation for 6-[1-(6-chloro-2,5-dimethylpyrimidin-4-yl)piperidin-4-yl]oxy-3,4-dihydro-2H-1,4-benzoxazine?
The canonical SMILES for 6-[1-(6-chloro-2,5-dimethylpyrimidin-4-yl)piperidin-4-yl]oxy-3,4-dihydro-2H-1,4-benzoxazine is Cc1nc(Cl)c(C)c(N2CCC(Oc3ccc4c(c3)NCCO4)CC2)n1.
What is the InChIKey of 6-[1-(6-chloro-2,5-dimethylpyrimidin-4-yl)piperidin-4-yl]oxy-3,4-dihydro-2H-1,4-benzoxazine?
The InChIKey is KVDNTYYBWAAKQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23ClN4O2/c1-12-18(20)22-13(2)23-19(12)24-8-5-14(6-9-24)26-15-3-4-17-16(11-15)21-7-10-25-17/h3-4,11,14,21H,5-10H2,1-2H3.
What are the key properties of 6-[1-(6-chloro-2,5-dimethylpyrimidin-4-yl)piperidin-4-yl]oxy-3,4-dihydro-2H-1,4-benzoxazine?
6-[1-(6-chloro-2,5-dimethylpyrimidin-4-yl)piperidin-4-yl]oxy-3,4-dihydro-2H-1,4-benzoxazine has a molecular weight of 374.87 g/mol, XLogP of 3.60, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[1-(6-chloro-2,5-dimethylpyrimidin-4-yl)piperidin-4-yl]oxy-3,4-dihydro-2H-1,4-benzoxazine is sourced from PubChem (CID 142386880), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).