5-fluoro-4-[4-[(2-methyl-3-pyridinyl)methyl]piperazin-1-yl]-6-propan-2-ylpyrimidine

C18H24FN5 — CID 166601004

IUPAC5-fluoro-4-[4-[(2-methyl-3-pyridinyl)methyl]piperazin-1-yl]-6-propan-2-ylpyrimidine
SMILESCc1ncccc1CN1CCN(c2ncnc(C(C)C)c2F)CC1
InChIInChI=1S/C18H24FN5/c1-13(2)17-16(19)18(22-12-21-17)24-9-7-23(8-10-24)11-15-5-4-6-20-14(15)3/h4-6,12-13H,7-11H2,1-3H3
InChIKeyIWZRYQWAWDEWAW-UHFFFAOYSA-N
MW329.42 g/mol
LogP2.76
Rot. Bonds4

About 5-fluoro-4-[4-[(2-methyl-3-pyridinyl)methyl]piperazin-1-yl]-6-propan-2-ylpyrimidine

5-fluoro-4-[4-[(2-methyl-3-pyridinyl)methyl]piperazin-1-yl]-6-propan-2-ylpyrimidine (PubChem CID 166601004) has the molecular formula C18H24FN5 and a molecular weight of 329.42 g/mol. Its IUPAC name is 5-fluoro-4-[4-[(2-methyl-3-pyridinyl)methyl]piperazin-1-yl]-6-propan-2-ylpyrimidine.

Molecular Properties

Compound Name5-fluoro-4-[4-[(2-methyl-3-pyridinyl)methyl]piperazin-1-yl]-6-propan-2-ylpyrimidine
PubChem CID166601004
Molecular FormulaC18H24FN5
Molecular Weight329.42 g/mol
Exact Mass329.20
IUPAC Name5-fluoro-4-[4-[(2-methyl-3-pyridinyl)methyl]piperazin-1-yl]-6-propan-2-ylpyrimidine
SMILESCc1ncccc1CN1CCN(c2ncnc(C(C)C)c2F)CC1
InChIInChI=1S/C18H24FN5/c1-13(2)17-16(19)18(22-12-21-17)24-9-7-23(8-10-24)11-15-5-4-6-20-14(15)3/h4-6,12-13H,7-11H2,1-3H3
InChIKeyIWZRYQWAWDEWAW-UHFFFAOYSA-N
XLogP2.76
TPSA45.15 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.42
LogP ≤ 52.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 5-fluoro-4-[4-[(2-methyl-3-pyridinyl)methyl]piperazin-1-yl]-6-propan-2-ylpyrimidine with MolForge

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Related Compounds

1-methyl-4-[(2-methyl-3-pyridinyl)methyl]piperazine
CID 71302088
2-methyl-3-(pyrrolidin-1-ylmethyl)pyridine
CID 130158747
4-methoxy-6-[4-[(2-methyl-3-pyridinyl)methyl]piperazin-1-yl]pyrimidine
CID 171130683
5-chloro-2-[4-[(2-methyl-3-pyridinyl)methyl]piperazin-1-yl]pyrimidine
CID 166600720
1-[(2-bromophenyl)methyl]-4-[(2-methyl-3-pyridinyl)methyl]piperazine
CID 166601534
4-[4-[(3-bromo-2-fluorophenyl)methyl]piperazin-1-yl]-6,7-dihydro-5H-cyclopenta[d]pyrimidine
CID 171701475
4-[4-[(2-fluorophenyl)methyl]piperazin-1-yl]quinazoline
CID 9463976
(2R)-2-[2-[[4-(5,6-dimethylpyrimidin-4-yl)piperazin-1-yl]methyl]phenoxy]propanoic acid
CID 99936767
4-[4-[[2-(trifluoromethyl)-3-pyridinyl]methyl]piperazin-1-yl]-6,7-dihydro-5H-cyclopenta[d]pyrimidine
CID 171337724
4-[4-[(3-bromo-2-fluorophenyl)methyl]piperazin-1-yl]-6-methylpyrimidine
CID 171704326
2-[4-[(2-fluorophenyl)methyl]piperazin-1-yl]pyridine-3-carbonitrile
CID 31618852
7-methyl-4-[4-[[2-(trifluoromethyl)-3-pyridinyl]methyl]piperazin-1-yl]thieno[3,2-d]pyrimidine
CID 171701165

Frequently Asked Questions

What is the IUPAC name of 5-fluoro-4-[4-[(2-methyl-3-pyridinyl)methyl]piperazin-1-yl]-6-propan-2-ylpyrimidine?
The IUPAC name of 5-fluoro-4-[4-[(2-methyl-3-pyridinyl)methyl]piperazin-1-yl]-6-propan-2-ylpyrimidine (CID 166601004) is 5-fluoro-4-[4-[(2-methyl-3-pyridinyl)methyl]piperazin-1-yl]-6-propan-2-ylpyrimidine.
What is the SMILES notation for 5-fluoro-4-[4-[(2-methyl-3-pyridinyl)methyl]piperazin-1-yl]-6-propan-2-ylpyrimidine?
The canonical SMILES for 5-fluoro-4-[4-[(2-methyl-3-pyridinyl)methyl]piperazin-1-yl]-6-propan-2-ylpyrimidine is Cc1ncccc1CN1CCN(c2ncnc(C(C)C)c2F)CC1.
What is the InChIKey of 5-fluoro-4-[4-[(2-methyl-3-pyridinyl)methyl]piperazin-1-yl]-6-propan-2-ylpyrimidine?
The InChIKey is IWZRYQWAWDEWAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24FN5/c1-13(2)17-16(19)18(22-12-21-17)24-9-7-23(8-10-24)11-15-5-4-6-20-14(15)3/h4-6,12-13H,7-11H2,1-3H3.
What are the key properties of 5-fluoro-4-[4-[(2-methyl-3-pyridinyl)methyl]piperazin-1-yl]-6-propan-2-ylpyrimidine?
5-fluoro-4-[4-[(2-methyl-3-pyridinyl)methyl]piperazin-1-yl]-6-propan-2-ylpyrimidine has a molecular weight of 329.42 g/mol, XLogP of 2.76, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-4-[4-[(2-methyl-3-pyridinyl)methyl]piperazin-1-yl]-6-propan-2-ylpyrimidine is sourced from PubChem (CID 166601004), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).