2-cyclopropyl-N'-[6-[4-(2-fluoro-6-methoxyphenyl)piperidin-1-yl]pyrimidin-4-yl]acetohydrazide

C21H26FN5O2 — CID 118108163

IUPAC2-cyclopropyl-N'-[6-[4-(2-fluoro-6-methoxyphenyl)piperidin-1-yl]pyrimidin-4-yl]acetohydrazide
SMILESCOc1cccc(F)c1C1CCN(c2cc(NNC(=O)CC3CC3)ncn2)CC1
InChIInChI=1S/C21H26FN5O2/c1-29-17-4-2-3-16(22)21(17)15-7-9-27(10-8-15)19-12-18(23-13-24-19)25-26-20(28)11-14-5-6-14/h2-4,12-15H,5-11H2,1H3,(H,26,28)(H,23,24,25)
InChIKeyVXEGHKSMPXVHIX-UHFFFAOYSA-N
MW399.47 g/mol
LogP3.25
Rot. Bonds7

About 2-cyclopropyl-N'-[6-[4-(2-fluoro-6-methoxyphenyl)piperidin-1-yl]pyrimidin-4-yl]acetohydrazide

2-cyclopropyl-N'-[6-[4-(2-fluoro-6-methoxyphenyl)piperidin-1-yl]pyrimidin-4-yl]acetohydrazide (PubChem CID 118108163) has the molecular formula C21H26FN5O2 and a molecular weight of 399.47 g/mol. Its IUPAC name is 2-cyclopropyl-N'-[6-[4-(2-fluoro-6-methoxyphenyl)piperidin-1-yl]pyrimidin-4-yl]acetohydrazide.

Molecular Properties

Compound Name2-cyclopropyl-N'-[6-[4-(2-fluoro-6-methoxyphenyl)piperidin-1-yl]pyrimidin-4-yl]acetohydrazide
PubChem CID118108163
Molecular FormulaC21H26FN5O2
Molecular Weight399.47 g/mol
Exact Mass399.21
IUPAC Name2-cyclopropyl-N'-[6-[4-(2-fluoro-6-methoxyphenyl)piperidin-1-yl]pyrimidin-4-yl]acetohydrazide
SMILESCOc1cccc(F)c1C1CCN(c2cc(NNC(=O)CC3CC3)ncn2)CC1
InChIInChI=1S/C21H26FN5O2/c1-29-17-4-2-3-16(22)21(17)15-7-9-27(10-8-15)19-12-18(23-13-24-19)25-26-20(28)11-14-5-6-14/h2-4,12-15H,5-11H2,1H3,(H,26,28)(H,23,24,25)
InChIKeyVXEGHKSMPXVHIX-UHFFFAOYSA-N
XLogP3.25
TPSA79.38 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.47
LogP ≤ 53.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

2-cyclopropyl-N'-[6-(4-phenylpiperidin-1-yl)pyrimidin-4-yl]acetohydrazide
CID 118108072
2-(2-chloro-6-fluorophenyl)-N-[6-(4-methylpiperidin-1-yl)pyrimidin-4-yl]acetamide
CID 90546137
2-cyclohexyl-N-[6-(4-methylpiperazin-1-yl)pyrimidin-4-yl]acetamide
CID 90543700
2-(2-methoxyphenoxy)-N-[6-(4-methylpiperazin-1-yl)pyrimidin-4-yl]acetamide
CID 90543826
2-(2,3-dimethylphenoxy)-N-(6-piperidin-1-ylpyrimidin-4-yl)acetamide
CID 90544545
2-(4-methylphenyl)-N-[6-(4-methylpiperidin-1-yl)pyrimidin-4-yl]acetamide
CID 90546048
2-cyclopropyl-N-[2-[(6-morpholin-4-ylpyrimidin-4-yl)amino]ethyl]acetamide
CID 122327986
1-(2,3-dimethoxyphenyl)-3-(6-piperidin-1-ylpyrimidin-4-yl)urea
CID 90544779
[1-[6-(methylamino)pyrimidin-4-yl]piperidin-4-yl]methanol
CID 80755881
2-methoxy-6-[[(6-piperidin-1-ylpyrimidin-4-yl)amino]methyl]phenol
CID 133448199
2,6-difluoro-N-[6-(4-phenylpiperazin-1-yl)pyrimidin-4-yl]benzamide
CID 90545341
methyl 2-[[6-(4-methylpiperidin-1-yl)pyrimidin-4-yl]amino]benzoate
CID 112856472

Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-N'-[6-[4-(2-fluoro-6-methoxyphenyl)piperidin-1-yl]pyrimidin-4-yl]acetohydrazide?
The IUPAC name of 2-cyclopropyl-N'-[6-[4-(2-fluoro-6-methoxyphenyl)piperidin-1-yl]pyrimidin-4-yl]acetohydrazide (CID 118108163) is 2-cyclopropyl-N'-[6-[4-(2-fluoro-6-methoxyphenyl)piperidin-1-yl]pyrimidin-4-yl]acetohydrazide.
What is the SMILES notation for 2-cyclopropyl-N'-[6-[4-(2-fluoro-6-methoxyphenyl)piperidin-1-yl]pyrimidin-4-yl]acetohydrazide?
The canonical SMILES for 2-cyclopropyl-N'-[6-[4-(2-fluoro-6-methoxyphenyl)piperidin-1-yl]pyrimidin-4-yl]acetohydrazide is COc1cccc(F)c1C1CCN(c2cc(NNC(=O)CC3CC3)ncn2)CC1.
What is the InChIKey of 2-cyclopropyl-N'-[6-[4-(2-fluoro-6-methoxyphenyl)piperidin-1-yl]pyrimidin-4-yl]acetohydrazide?
The InChIKey is VXEGHKSMPXVHIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26FN5O2/c1-29-17-4-2-3-16(22)21(17)15-7-9-27(10-8-15)19-12-18(23-13-24-19)25-26-20(28)11-14-5-6-14/h2-4,12-15H,5-11H2,1H3,(H,26,28)(H,23,24,25).
What are the key properties of 2-cyclopropyl-N'-[6-[4-(2-fluoro-6-methoxyphenyl)piperidin-1-yl]pyrimidin-4-yl]acetohydrazide?
2-cyclopropyl-N'-[6-[4-(2-fluoro-6-methoxyphenyl)piperidin-1-yl]pyrimidin-4-yl]acetohydrazide has a molecular weight of 399.47 g/mol, XLogP of 3.25, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-N'-[6-[4-(2-fluoro-6-methoxyphenyl)piperidin-1-yl]pyrimidin-4-yl]acetohydrazide is sourced from PubChem (CID 118108163), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).