5-chloro-2-[4-[(2-methyl-3-pyridinyl)methyl]piperazin-1-yl]pyrimidine

C15H18ClN5 — CID 166600720

IUPAC5-chloro-2-[4-[(2-methyl-3-pyridinyl)methyl]piperazin-1-yl]pyrimidine
SMILESCc1ncccc1CN1CCN(c2ncc(Cl)cn2)CC1
InChIInChI=1S/C15H18ClN5/c1-12-13(3-2-4-17-12)11-20-5-7-21(8-6-20)15-18-9-14(16)10-19-15/h2-4,9-10H,5-8,11H2,1H3
InChIKeyPPYWWWXGJQGMFU-UHFFFAOYSA-N
MW303.80 g/mol
LogP2.16
Rot. Bonds3

About 5-chloro-2-[4-[(2-methyl-3-pyridinyl)methyl]piperazin-1-yl]pyrimidine

5-chloro-2-[4-[(2-methyl-3-pyridinyl)methyl]piperazin-1-yl]pyrimidine (PubChem CID 166600720) has the molecular formula C15H18ClN5 and a molecular weight of 303.80 g/mol. Its IUPAC name is 5-chloro-2-[4-[(2-methyl-3-pyridinyl)methyl]piperazin-1-yl]pyrimidine.

Molecular Properties

Compound Name5-chloro-2-[4-[(2-methyl-3-pyridinyl)methyl]piperazin-1-yl]pyrimidine
PubChem CID166600720
Molecular FormulaC15H18ClN5
Molecular Weight303.80 g/mol
Exact Mass303.13
IUPAC Name5-chloro-2-[4-[(2-methyl-3-pyridinyl)methyl]piperazin-1-yl]pyrimidine
SMILESCc1ncccc1CN1CCN(c2ncc(Cl)cn2)CC1
InChIInChI=1S/C15H18ClN5/c1-12-13(3-2-4-17-12)11-20-5-7-21(8-6-20)15-18-9-14(16)10-19-15/h2-4,9-10H,5-8,11H2,1H3
InChIKeyPPYWWWXGJQGMFU-UHFFFAOYSA-N
XLogP2.16
TPSA45.15 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.80
LogP ≤ 52.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

5-chloro-2-[4-[[2-(trifluoromethyl)-3-pyridinyl]methyl]piperazin-1-yl]pyrimidine
CID 171337721
1-methyl-4-[(2-methyl-3-pyridinyl)methyl]piperazine
CID 71302088
2-methyl-3-(pyrrolidin-1-ylmethyl)pyridine
CID 130158747
1-[(2-bromophenyl)methyl]-4-[(2-methyl-3-pyridinyl)methyl]piperazine
CID 166601534
4-methoxy-6-[4-[(2-methyl-3-pyridinyl)methyl]piperazin-1-yl]pyrimidine
CID 171130683
2-methyl-3-[(4-pyrimidin-2-ylpiperazin-1-yl)methyl]aniline
CID 43509117
5-chloro-2-[4-[(4-methoxyphenyl)methyl]piperazin-1-yl]pyrimidine
CID 75424158
5-chloro-2-[4-(pyrimidin-5-ylmethyl)piperazin-1-yl]pyrimidine
CID 50961410
5-fluoro-4-[4-[(2-methyl-3-pyridinyl)methyl]piperazin-1-yl]-6-propan-2-ylpyrimidine
CID 166601004
8-chloro-7-[(4-pyrimidin-2-ylpiperazin-1-yl)methyl]quinoline
CID 146025679
4-[4-(5-chloropyrimidin-2-yl)piperazin-1-yl]-5,6-dimethylpyrimidine
CID 139028592
5-chloro-2-[4-(2,3-dimethylphenyl)piperazin-1-yl]pyrimidine
CID 155942484

Frequently Asked Questions

What is the IUPAC name of 5-chloro-2-[4-[(2-methyl-3-pyridinyl)methyl]piperazin-1-yl]pyrimidine?
The IUPAC name of 5-chloro-2-[4-[(2-methyl-3-pyridinyl)methyl]piperazin-1-yl]pyrimidine (CID 166600720) is 5-chloro-2-[4-[(2-methyl-3-pyridinyl)methyl]piperazin-1-yl]pyrimidine.
What is the SMILES notation for 5-chloro-2-[4-[(2-methyl-3-pyridinyl)methyl]piperazin-1-yl]pyrimidine?
The canonical SMILES for 5-chloro-2-[4-[(2-methyl-3-pyridinyl)methyl]piperazin-1-yl]pyrimidine is Cc1ncccc1CN1CCN(c2ncc(Cl)cn2)CC1.
What is the InChIKey of 5-chloro-2-[4-[(2-methyl-3-pyridinyl)methyl]piperazin-1-yl]pyrimidine?
The InChIKey is PPYWWWXGJQGMFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18ClN5/c1-12-13(3-2-4-17-12)11-20-5-7-21(8-6-20)15-18-9-14(16)10-19-15/h2-4,9-10H,5-8,11H2,1H3.
What are the key properties of 5-chloro-2-[4-[(2-methyl-3-pyridinyl)methyl]piperazin-1-yl]pyrimidine?
5-chloro-2-[4-[(2-methyl-3-pyridinyl)methyl]piperazin-1-yl]pyrimidine has a molecular weight of 303.80 g/mol, XLogP of 2.16, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-2-[4-[(2-methyl-3-pyridinyl)methyl]piperazin-1-yl]pyrimidine is sourced from PubChem (CID 166600720), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).