4-methoxy-2-[4-(1-pyridin-2-ylethyl)piperazin-1-yl]pyrimidine

C16H21N5O — CID 146125070

IUPAC4-methoxy-2-[4-(1-pyridin-2-ylethyl)piperazin-1-yl]pyrimidine
SMILESCOc1ccnc(N2CCN(C(C)c3ccccn3)CC2)n1
InChIInChI=1S/C16H21N5O/c1-13(14-5-3-4-7-17-14)20-9-11-21(12-10-20)16-18-8-6-15(19-16)22-2/h3-8,13H,9-12H2,1-2H3
InChIKeyOOZAJUXCOXRSAO-UHFFFAOYSA-N
MW299.38 g/mol
LogP1.76
Rot. Bonds4

About 4-methoxy-2-[4-(1-pyridin-2-ylethyl)piperazin-1-yl]pyrimidine

4-methoxy-2-[4-(1-pyridin-2-ylethyl)piperazin-1-yl]pyrimidine (PubChem CID 146125070) has the molecular formula C16H21N5O and a molecular weight of 299.38 g/mol. Its IUPAC name is 4-methoxy-2-[4-(1-pyridin-2-ylethyl)piperazin-1-yl]pyrimidine.

Molecular Properties

Compound Name4-methoxy-2-[4-(1-pyridin-2-ylethyl)piperazin-1-yl]pyrimidine
PubChem CID146125070
Molecular FormulaC16H21N5O
Molecular Weight299.38 g/mol
Exact Mass299.17
IUPAC Name4-methoxy-2-[4-(1-pyridin-2-ylethyl)piperazin-1-yl]pyrimidine
SMILESCOc1ccnc(N2CCN(C(C)c3ccccn3)CC2)n1
InChIInChI=1S/C16H21N5O/c1-13(14-5-3-4-7-17-14)20-9-11-21(12-10-20)16-18-8-6-15(19-16)22-2/h3-8,13H,9-12H2,1-2H3
InChIKeyOOZAJUXCOXRSAO-UHFFFAOYSA-N
XLogP1.76
TPSA54.38 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.38
LogP ≤ 51.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

1-(4-methoxyphenyl)-4-(1-pyridin-2-ylethyl)piperazine
CID 110454928
3-ethyl-5-[(1S)-1-[4-(4-methoxypyrimidin-2-yl)piperazin-1-yl]ethyl]-1,2,4-oxadiazole
CID 95160534
4-methoxy-2-(4-propan-2-ylpiperidin-1-yl)pyrimidine
CID 166900843
4-methoxy-2-[4-(2-pyridin-2-ylethyl)piperazin-1-yl]pyrimidine
CID 171130101
N-[1-(4-methoxypyrimidin-2-yl)piperidin-4-yl]-N-methylpyridin-2-amine
CID 155975727
4-ethoxy-6-[4-[(1R)-1-pyridin-2-ylethyl]piperazin-1-yl]pyrimidine
CID 99627124
(2R)-1-[4-(4-methoxypyrimidin-2-yl)piperazin-1-yl]propan-2-ol
CID 133486239
1-(3-chloro-4-methoxyphenyl)-4-(1-pyridin-2-ylethyl)piperazine
CID 110452672
4-methoxy-2-[4-(6-methyl-2-pyridinyl)piperazin-1-yl]pyrimidine
CID 133314057
4-methoxy-2-[4-(2-phenylethyl)piperazin-1-yl]pyrimidine
CID 154829857
2-[4-(3-ethoxy-2-pyridinyl)piperazin-1-yl]-4-methoxypyrimidine
CID 154772463
[4-(4-methoxypyrimidin-2-yl)piperazin-1-yl]-phenylmethanethione;hydrochloride
CID 22617971

Frequently Asked Questions

What is the IUPAC name of 4-methoxy-2-[4-(1-pyridin-2-ylethyl)piperazin-1-yl]pyrimidine?
The IUPAC name of 4-methoxy-2-[4-(1-pyridin-2-ylethyl)piperazin-1-yl]pyrimidine (CID 146125070) is 4-methoxy-2-[4-(1-pyridin-2-ylethyl)piperazin-1-yl]pyrimidine.
What is the SMILES notation for 4-methoxy-2-[4-(1-pyridin-2-ylethyl)piperazin-1-yl]pyrimidine?
The canonical SMILES for 4-methoxy-2-[4-(1-pyridin-2-ylethyl)piperazin-1-yl]pyrimidine is COc1ccnc(N2CCN(C(C)c3ccccn3)CC2)n1.
What is the InChIKey of 4-methoxy-2-[4-(1-pyridin-2-ylethyl)piperazin-1-yl]pyrimidine?
The InChIKey is OOZAJUXCOXRSAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N5O/c1-13(14-5-3-4-7-17-14)20-9-11-21(12-10-20)16-18-8-6-15(19-16)22-2/h3-8,13H,9-12H2,1-2H3.
What are the key properties of 4-methoxy-2-[4-(1-pyridin-2-ylethyl)piperazin-1-yl]pyrimidine?
4-methoxy-2-[4-(1-pyridin-2-ylethyl)piperazin-1-yl]pyrimidine has a molecular weight of 299.38 g/mol, XLogP of 1.76, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-2-[4-(1-pyridin-2-ylethyl)piperazin-1-yl]pyrimidine is sourced from PubChem (CID 146125070), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).