4-(1,4-diazepan-1-yl)-N-[[5-(2-fluorophenyl)-1,2-oxazol-3-yl]methyl]pyrimidin-2-amine

C19H21FN6O — CID 166302178

IUPAC4-(1,4-diazepan-1-yl)-N-[[5-(2-fluorophenyl)-1,2-oxazol-3-yl]methyl]pyrimidin-2-amine
SMILESFc1ccccc1-c1cc(CNc2nccc(N3CCCNCC3)n2)no1
InChIInChI=1S/C19H21FN6O/c20-16-5-2-1-4-15(16)17-12-14(25-27-17)13-23-19-22-8-6-18(24-19)26-10-3-7-21-9-11-26/h1-2,4-6,8,12,21H,3,7,9-11,13H2,(H,22,23,24)
InChIKeyRRWFEQURAKCOQG-UHFFFAOYSA-N
MW368.42 g/mol
LogP2.68
Rot. Bonds5

About 4-(1,4-diazepan-1-yl)-N-[[5-(2-fluorophenyl)-1,2-oxazol-3-yl]methyl]pyrimidin-2-amine

4-(1,4-diazepan-1-yl)-N-[[5-(2-fluorophenyl)-1,2-oxazol-3-yl]methyl]pyrimidin-2-amine (PubChem CID 166302178) has the molecular formula C19H21FN6O and a molecular weight of 368.42 g/mol. Its IUPAC name is 4-(1,4-diazepan-1-yl)-N-[[5-(2-fluorophenyl)-1,2-oxazol-3-yl]methyl]pyrimidin-2-amine.

Molecular Properties

Compound Name4-(1,4-diazepan-1-yl)-N-[[5-(2-fluorophenyl)-1,2-oxazol-3-yl]methyl]pyrimidin-2-amine
PubChem CID166302178
Molecular FormulaC19H21FN6O
Molecular Weight368.42 g/mol
Exact Mass368.18
IUPAC Name4-(1,4-diazepan-1-yl)-N-[[5-(2-fluorophenyl)-1,2-oxazol-3-yl]methyl]pyrimidin-2-amine
SMILESFc1ccccc1-c1cc(CNc2nccc(N3CCCNCC3)n2)no1
InChIInChI=1S/C19H21FN6O/c20-16-5-2-1-4-15(16)17-12-14(25-27-17)13-23-19-22-8-6-18(24-19)26-10-3-7-21-9-11-26/h1-2,4-6,8,12,21H,3,7,9-11,13H2,(H,22,23,24)
InChIKeyRRWFEQURAKCOQG-UHFFFAOYSA-N
XLogP2.68
TPSA79.11 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.42
LogP ≤ 52.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 4-(1,4-diazepan-1-yl)-N-[[5-(2-fluorophenyl)-1,2-oxazol-3-yl]methyl]pyrimidin-2-amine with MolForge

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Related Compounds

1-[5-(2-fluorophenyl)-1H-pyrazol-3-yl]-1,4-diazepane
CID 114697184
N-(2-methoxyethyl)-4-piperazin-1-ylpyrimidin-2-amine
CID 67087546
N-[(6-methyl-2-pyrrolidin-1-ylpyrimidin-4-yl)methyl]-4-pyrrolidin-1-ylpyrimidin-2-amine
CID 166225722
N-methyl-4-piperazin-1-ylpyrimidin-2-amine
CID 80838050
N-(pyridin-2-ylmethyl)-4-(4-pyridin-2-ylpiperazin-1-yl)pyrimidin-2-amine
CID 112893321
1-[5-(2-fluorophenyl)-1H-pyrazol-3-yl]piperazine;dihydrochloride
CID 155821881
4-(azepan-1-yl)-N-[(2-methylphenyl)methyl]pyrimidin-2-amine
CID 112889908
2-(2-fluorophenyl)-4-phenyl-6-piperazin-1-ylpyrimidine
CID 56766882
(1S,2S,4S)-4-amino-2-[[4-(1,4-diazepan-1-yl)pyrimidin-2-yl]amino]cyclopentan-1-ol
CID 167880237
N-[2-(2-methyl-1H-indol-3-yl)ethyl]-4-piperazin-1-ylpyrimidin-2-amine
CID 166312968
N-[2-(2-fluorophenyl)ethyl]-4-(3-methylpiperidin-1-yl)pyrimidin-2-amine
CID 112894597
4-(azepan-1-yl)-N-(pyrrolidin-2-ylmethyl)pyrimidin-2-amine
CID 66908167

Frequently Asked Questions

What is the IUPAC name of 4-(1,4-diazepan-1-yl)-N-[[5-(2-fluorophenyl)-1,2-oxazol-3-yl]methyl]pyrimidin-2-amine?
The IUPAC name of 4-(1,4-diazepan-1-yl)-N-[[5-(2-fluorophenyl)-1,2-oxazol-3-yl]methyl]pyrimidin-2-amine (CID 166302178) is 4-(1,4-diazepan-1-yl)-N-[[5-(2-fluorophenyl)-1,2-oxazol-3-yl]methyl]pyrimidin-2-amine.
What is the SMILES notation for 4-(1,4-diazepan-1-yl)-N-[[5-(2-fluorophenyl)-1,2-oxazol-3-yl]methyl]pyrimidin-2-amine?
The canonical SMILES for 4-(1,4-diazepan-1-yl)-N-[[5-(2-fluorophenyl)-1,2-oxazol-3-yl]methyl]pyrimidin-2-amine is Fc1ccccc1-c1cc(CNc2nccc(N3CCCNCC3)n2)no1.
What is the InChIKey of 4-(1,4-diazepan-1-yl)-N-[[5-(2-fluorophenyl)-1,2-oxazol-3-yl]methyl]pyrimidin-2-amine?
The InChIKey is RRWFEQURAKCOQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21FN6O/c20-16-5-2-1-4-15(16)17-12-14(25-27-17)13-23-19-22-8-6-18(24-19)26-10-3-7-21-9-11-26/h1-2,4-6,8,12,21H,3,7,9-11,13H2,(H,22,23,24).
What are the key properties of 4-(1,4-diazepan-1-yl)-N-[[5-(2-fluorophenyl)-1,2-oxazol-3-yl]methyl]pyrimidin-2-amine?
4-(1,4-diazepan-1-yl)-N-[[5-(2-fluorophenyl)-1,2-oxazol-3-yl]methyl]pyrimidin-2-amine has a molecular weight of 368.42 g/mol, XLogP of 2.68, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1,4-diazepan-1-yl)-N-[[5-(2-fluorophenyl)-1,2-oxazol-3-yl]methyl]pyrimidin-2-amine is sourced from PubChem (CID 166302178), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).