4-[2-[4-(5-chloro-2-pyridinyl)piperazin-1-yl]-6-methylpyrimidin-4-yl]morpholine

C18H23ClN6O — CID 166601129

IUPAC4-[2-[4-(5-chloro-2-pyridinyl)piperazin-1-yl]-6-methylpyrimidin-4-yl]morpholine
SMILESCc1cc(N2CCOCC2)nc(N2CCN(c3ccc(Cl)cn3)CC2)n1
InChIInChI=1S/C18H23ClN6O/c1-14-12-17(24-8-10-26-11-9-24)22-18(21-14)25-6-4-23(5-7-25)16-3-2-15(19)13-20-16/h2-3,12-13H,4-11H2,1H3
InChIKeyNATRIJUDOFSWOQ-UHFFFAOYSA-N
MW374.88 g/mol
LogP2.00
Rot. Bonds3

About 4-[2-[4-(5-chloro-2-pyridinyl)piperazin-1-yl]-6-methylpyrimidin-4-yl]morpholine

4-[2-[4-(5-chloro-2-pyridinyl)piperazin-1-yl]-6-methylpyrimidin-4-yl]morpholine (PubChem CID 166601129) has the molecular formula C18H23ClN6O and a molecular weight of 374.88 g/mol. Its IUPAC name is 4-[2-[4-(5-chloro-2-pyridinyl)piperazin-1-yl]-6-methylpyrimidin-4-yl]morpholine.

Molecular Properties

Compound Name4-[2-[4-(5-chloro-2-pyridinyl)piperazin-1-yl]-6-methylpyrimidin-4-yl]morpholine
PubChem CID166601129
Molecular FormulaC18H23ClN6O
Molecular Weight374.88 g/mol
Exact Mass374.16
IUPAC Name4-[2-[4-(5-chloro-2-pyridinyl)piperazin-1-yl]-6-methylpyrimidin-4-yl]morpholine
SMILESCc1cc(N2CCOCC2)nc(N2CCN(c3ccc(Cl)cn3)CC2)n1
InChIInChI=1S/C18H23ClN6O/c1-14-12-17(24-8-10-26-11-9-24)22-18(21-14)25-6-4-23(5-7-25)16-3-2-15(19)13-20-16/h2-3,12-13H,4-11H2,1H3
InChIKeyNATRIJUDOFSWOQ-UHFFFAOYSA-N
XLogP2.00
TPSA57.62 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.88
LogP ≤ 52.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

4-[4-methyl-6-(4-pyridin-2-ylpiperazin-1-yl)pyrimidin-2-yl]morpholine
CID 112912286
4-[6-methyl-2-(4-quinoxalin-2-ylpiperazin-1-yl)pyrimidin-4-yl]morpholine
CID 154883227
4-(5-chloro-2-pyridinyl)-1,4-oxazepane
CID 66234346
(E)-3-(4-chlorophenyl)-1-[4-(6-methyl-2-morpholin-4-ylpyrimidin-4-yl)piperazin-1-yl]prop-2-en-1-one
CID 122340087
4-[2-[4-[(3,4-difluorophenyl)methyl]piperazin-1-yl]-6-methylpyrimidin-4-yl]morpholine
CID 154580930
4-[2-[4-(5,6-dimethylpyrimidin-4-yl)piperazin-1-yl]-6-methylpyrimidin-4-yl]morpholine
CID 146074348
4-[2-[4-[3-fluoro-5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]-6-methylpyrimidin-4-yl]morpholine
CID 155981444
4-[2-(4-ethylsulfonylpiperazin-1-yl)-6-methylpyrimidin-4-yl]morpholine
CID 27656202
N-(3-chloro-4-fluorophenyl)-4-(4-methyl-6-morpholin-4-ylpyrimidin-2-yl)piperazine-1-carboxamide
CID 47001920
4-[4-(4-methyl-6-morpholin-4-ylpyrimidin-2-yl)piperazin-1-yl]pyridine-2-carbonitrile
CID 163345940
4-[4-[4-[(3-chlorophenyl)methylsulfonyl]piperazin-1-yl]-6-methylpyrimidin-2-yl]morpholine
CID 122340171
4-[6-methyl-2-[4-(3-methyl-1,2,4-thiadiazol-5-yl)piperazin-1-yl]pyrimidin-4-yl]morpholine
CID 163345543

Frequently Asked Questions

What is the IUPAC name of 4-[2-[4-(5-chloro-2-pyridinyl)piperazin-1-yl]-6-methylpyrimidin-4-yl]morpholine?
The IUPAC name of 4-[2-[4-(5-chloro-2-pyridinyl)piperazin-1-yl]-6-methylpyrimidin-4-yl]morpholine (CID 166601129) is 4-[2-[4-(5-chloro-2-pyridinyl)piperazin-1-yl]-6-methylpyrimidin-4-yl]morpholine.
What is the SMILES notation for 4-[2-[4-(5-chloro-2-pyridinyl)piperazin-1-yl]-6-methylpyrimidin-4-yl]morpholine?
The canonical SMILES for 4-[2-[4-(5-chloro-2-pyridinyl)piperazin-1-yl]-6-methylpyrimidin-4-yl]morpholine is Cc1cc(N2CCOCC2)nc(N2CCN(c3ccc(Cl)cn3)CC2)n1.
What is the InChIKey of 4-[2-[4-(5-chloro-2-pyridinyl)piperazin-1-yl]-6-methylpyrimidin-4-yl]morpholine?
The InChIKey is NATRIJUDOFSWOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23ClN6O/c1-14-12-17(24-8-10-26-11-9-24)22-18(21-14)25-6-4-23(5-7-25)16-3-2-15(19)13-20-16/h2-3,12-13H,4-11H2,1H3.
What are the key properties of 4-[2-[4-(5-chloro-2-pyridinyl)piperazin-1-yl]-6-methylpyrimidin-4-yl]morpholine?
4-[2-[4-(5-chloro-2-pyridinyl)piperazin-1-yl]-6-methylpyrimidin-4-yl]morpholine has a molecular weight of 374.88 g/mol, XLogP of 2.00, 3 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-[4-(5-chloro-2-pyridinyl)piperazin-1-yl]-6-methylpyrimidin-4-yl]morpholine is sourced from PubChem (CID 166601129), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).