5-chloro-2-[4-[(4-methoxyphenyl)methyl]piperazin-1-yl]pyrimidine

C16H19ClN4O — CID 75424158

IUPAC5-chloro-2-[4-[(4-methoxyphenyl)methyl]piperazin-1-yl]pyrimidine
SMILESCOc1ccc(CN2CCN(c3ncc(Cl)cn3)CC2)cc1
InChIInChI=1S/C16H19ClN4O/c1-22-15-4-2-13(3-5-15)12-20-6-8-21(9-7-20)16-18-10-14(17)11-19-16/h2-5,10-11H,6-9,12H2,1H3
InChIKeyIPQJFXBFPDYALF-UHFFFAOYSA-N
MW318.81 g/mol
LogP2.46
Rot. Bonds4

About 5-chloro-2-[4-[(4-methoxyphenyl)methyl]piperazin-1-yl]pyrimidine

5-chloro-2-[4-[(4-methoxyphenyl)methyl]piperazin-1-yl]pyrimidine (PubChem CID 75424158) has the molecular formula C16H19ClN4O and a molecular weight of 318.81 g/mol. Its IUPAC name is 5-chloro-2-[4-[(4-methoxyphenyl)methyl]piperazin-1-yl]pyrimidine.

Molecular Properties

Compound Name5-chloro-2-[4-[(4-methoxyphenyl)methyl]piperazin-1-yl]pyrimidine
PubChem CID75424158
Molecular FormulaC16H19ClN4O
Molecular Weight318.81 g/mol
Exact Mass318.12
IUPAC Name5-chloro-2-[4-[(4-methoxyphenyl)methyl]piperazin-1-yl]pyrimidine
SMILESCOc1ccc(CN2CCN(c3ncc(Cl)cn3)CC2)cc1
InChIInChI=1S/C16H19ClN4O/c1-22-15-4-2-13(3-5-15)12-20-6-8-21(9-7-20)16-18-10-14(17)11-19-16/h2-5,10-11H,6-9,12H2,1H3
InChIKeyIPQJFXBFPDYALF-UHFFFAOYSA-N
XLogP2.46
TPSA41.49 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.81
LogP ≤ 52.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

5-chloro-2-[4-(pyrimidin-5-ylmethyl)piperazin-1-yl]pyrimidine
CID 50961410
1,4,7-tris[(4-methoxyphenyl)methyl]-1,4,7-triazecane
CID 66887441
2-[4-[(3,5-dimethoxyphenyl)methyl]piperazin-1-yl]-5-methylpyrimidine
CID 133403794
1-[(4-chlorophenyl)methyl]-4-(4-methoxyphenyl)-1,4-diazepane
CID 55830862
1-[(4-methoxyphenyl)methyl]-4-(5-methoxypyrimidin-2-yl)piperazin-2-one
CID 70726206
1-[(4-methoxyphenyl)methyl]-4-(2-methylphenyl)piperazine
CID 791315
4-[4-[(4-methoxyphenyl)methyl]piperazin-1-yl]thieno[2,3-d]pyrimidine
CID 26448675
3-chloro-6-[(4-methoxyphenyl)methyl]-5,7-dihydropyrrolo[3,4-b]pyridine
CID 71302960
5-chloro-2-[4-[(2-methyl-3-pyridinyl)methyl]piperazin-1-yl]pyrimidine
CID 166600720
2-[(4-methoxyphenyl)methyl]-8-pyrimidin-2-yl-2,8-diazaspiro[4.5]decane
CID 97449653
4-[4-[(4-ethoxyphenyl)methyl]piperazin-1-yl]-6-methyl-1,3,5-triazin-2-amine
CID 136557229
7-(5-fluoropyrimidin-2-yl)-2-[(4-methoxyphenyl)methyl]-2,7-diazaspiro[4.5]decane
CID 118745159

Frequently Asked Questions

What is the IUPAC name of 5-chloro-2-[4-[(4-methoxyphenyl)methyl]piperazin-1-yl]pyrimidine?
The IUPAC name of 5-chloro-2-[4-[(4-methoxyphenyl)methyl]piperazin-1-yl]pyrimidine (CID 75424158) is 5-chloro-2-[4-[(4-methoxyphenyl)methyl]piperazin-1-yl]pyrimidine.
What is the SMILES notation for 5-chloro-2-[4-[(4-methoxyphenyl)methyl]piperazin-1-yl]pyrimidine?
The canonical SMILES for 5-chloro-2-[4-[(4-methoxyphenyl)methyl]piperazin-1-yl]pyrimidine is COc1ccc(CN2CCN(c3ncc(Cl)cn3)CC2)cc1.
What is the InChIKey of 5-chloro-2-[4-[(4-methoxyphenyl)methyl]piperazin-1-yl]pyrimidine?
The InChIKey is IPQJFXBFPDYALF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19ClN4O/c1-22-15-4-2-13(3-5-15)12-20-6-8-21(9-7-20)16-18-10-14(17)11-19-16/h2-5,10-11H,6-9,12H2,1H3.
What are the key properties of 5-chloro-2-[4-[(4-methoxyphenyl)methyl]piperazin-1-yl]pyrimidine?
5-chloro-2-[4-[(4-methoxyphenyl)methyl]piperazin-1-yl]pyrimidine has a molecular weight of 318.81 g/mol, XLogP of 2.46, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-2-[4-[(4-methoxyphenyl)methyl]piperazin-1-yl]pyrimidine is sourced from PubChem (CID 75424158), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).