2-[4-(6-chloro-5-methyl-3-pyridinyl)piperazin-1-yl]pyrimidine

C14H16ClN5 — CID 82225033

IUPAC2-[4-(6-chloro-5-methyl-3-pyridinyl)piperazin-1-yl]pyrimidine
SMILESCc1cc(N2CCN(c3ncccn3)CC2)cnc1Cl
InChIInChI=1S/C14H16ClN5/c1-11-9-12(10-18-13(11)15)19-5-7-20(8-6-19)14-16-3-2-4-17-14/h2-4,9-10H,5-8H2,1H3
InChIKeyBUEUILDJZPKBJA-UHFFFAOYSA-N
MW289.77 g/mol
LogP2.16
Rot. Bonds2

About 2-[4-(6-chloro-5-methyl-3-pyridinyl)piperazin-1-yl]pyrimidine

2-[4-(6-chloro-5-methyl-3-pyridinyl)piperazin-1-yl]pyrimidine (PubChem CID 82225033) has the molecular formula C14H16ClN5 and a molecular weight of 289.77 g/mol. Its IUPAC name is 2-[4-(6-chloro-5-methyl-3-pyridinyl)piperazin-1-yl]pyrimidine.

Molecular Properties

Compound Name2-[4-(6-chloro-5-methyl-3-pyridinyl)piperazin-1-yl]pyrimidine
PubChem CID82225033
Molecular FormulaC14H16ClN5
Molecular Weight289.77 g/mol
Exact Mass289.11
IUPAC Name2-[4-(6-chloro-5-methyl-3-pyridinyl)piperazin-1-yl]pyrimidine
SMILESCc1cc(N2CCN(c3ncccn3)CC2)cnc1Cl
InChIInChI=1S/C14H16ClN5/c1-11-9-12(10-18-13(11)15)19-5-7-20(8-6-19)14-16-3-2-4-17-14/h2-4,9-10H,5-8H2,1H3
InChIKeyBUEUILDJZPKBJA-UHFFFAOYSA-N
XLogP2.16
TPSA45.15 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.77
LogP ≤ 52.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

6-chloro-4-methyl-3-(4-pyrimidin-2-ylpiperazin-1-yl)pyridazine
CID 59867376
2-[4-(4-chlorophenyl)piperazin-1-yl]pyrimidine
CID 47439803
(3R)-1-(6-chloro-5-methyl-3-pyridinyl)pyrrolidin-3-amine
CID 131173225
1-(6-chloro-5-methyl-3-pyridinyl)-4-[(E)-3-phenylprop-2-enyl]piperazine
CID 82225075
2-[4-(5-bromo-3-pyridinyl)piperazin-1-yl]pyrimidine
CID 112690429
N-ethyl-5-(4-pyrimidin-2-ylpiperazin-1-yl)pyridin-3-amine
CID 104532011
ethane;2-(4-methylpiperazin-1-yl)pyrimidine
CID 143004762
5-[4-(3-chlorophenyl)piperazin-1-yl]-3-methylpyridin-2-amine
CID 83970369
2-[4-(7-methylspiro[1,3-benzodioxole-2,1'-cycloheptane]-5-yl)piperazin-1-yl]pyrimidine
CID 54000431
2-[4-(5-methyl-2-pyridinyl)piperazin-1-yl]pyrimidine
CID 59676617
(3aR,7aS)-5-(6-chloro-5-methyl-3-pyridinyl)-1,2,3,3a,4,6,7,7a-octahydropyrrolo[3,2-c]pyridine
CID 87137682
ethyl N-[5-(4-pyrimidin-2-ylpiperazin-1-yl)-2-pyridinyl]carbamate
CID 113029652

Frequently Asked Questions

What is the IUPAC name of 2-[4-(6-chloro-5-methyl-3-pyridinyl)piperazin-1-yl]pyrimidine?
The IUPAC name of 2-[4-(6-chloro-5-methyl-3-pyridinyl)piperazin-1-yl]pyrimidine (CID 82225033) is 2-[4-(6-chloro-5-methyl-3-pyridinyl)piperazin-1-yl]pyrimidine.
What is the SMILES notation for 2-[4-(6-chloro-5-methyl-3-pyridinyl)piperazin-1-yl]pyrimidine?
The canonical SMILES for 2-[4-(6-chloro-5-methyl-3-pyridinyl)piperazin-1-yl]pyrimidine is Cc1cc(N2CCN(c3ncccn3)CC2)cnc1Cl.
What is the InChIKey of 2-[4-(6-chloro-5-methyl-3-pyridinyl)piperazin-1-yl]pyrimidine?
The InChIKey is BUEUILDJZPKBJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16ClN5/c1-11-9-12(10-18-13(11)15)19-5-7-20(8-6-19)14-16-3-2-4-17-14/h2-4,9-10H,5-8H2,1H3.
What are the key properties of 2-[4-(6-chloro-5-methyl-3-pyridinyl)piperazin-1-yl]pyrimidine?
2-[4-(6-chloro-5-methyl-3-pyridinyl)piperazin-1-yl]pyrimidine has a molecular weight of 289.77 g/mol, XLogP of 2.16, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(6-chloro-5-methyl-3-pyridinyl)piperazin-1-yl]pyrimidine is sourced from PubChem (CID 82225033), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).