N-[3-(5-methyl-1,3,4-oxadiazol-2-yl)cyclobutyl]-4-phenoxypyrimidin-2-amine

C17H17N5O2 — CID 167810157

IUPACN-[3-(5-methyl-1,3,4-oxadiazol-2-yl)cyclobutyl]-4-phenoxypyrimidin-2-amine
SMILESCc1nnc(C2CC(Nc3nccc(Oc4ccccc4)n3)C2)o1
InChIInChI=1S/C17H17N5O2/c1-11-21-22-16(23-11)12-9-13(10-12)19-17-18-8-7-15(20-17)24-14-5-3-2-4-6-14/h2-8,12-13H,9-10H2,1H3,(H,18,19,20)
InChIKeyDXLUVADZYDWZRO-UHFFFAOYSA-N
MW323.36 g/mol
LogP3.32
Rot. Bonds5

About N-[3-(5-methyl-1,3,4-oxadiazol-2-yl)cyclobutyl]-4-phenoxypyrimidin-2-amine

N-[3-(5-methyl-1,3,4-oxadiazol-2-yl)cyclobutyl]-4-phenoxypyrimidin-2-amine (PubChem CID 167810157) has the molecular formula C17H17N5O2 and a molecular weight of 323.36 g/mol. Its IUPAC name is N-[3-(5-methyl-1,3,4-oxadiazol-2-yl)cyclobutyl]-4-phenoxypyrimidin-2-amine.

Molecular Properties

Compound NameN-[3-(5-methyl-1,3,4-oxadiazol-2-yl)cyclobutyl]-4-phenoxypyrimidin-2-amine
PubChem CID167810157
Molecular FormulaC17H17N5O2
Molecular Weight323.36 g/mol
Exact Mass323.14
IUPAC NameN-[3-(5-methyl-1,3,4-oxadiazol-2-yl)cyclobutyl]-4-phenoxypyrimidin-2-amine
SMILESCc1nnc(C2CC(Nc3nccc(Oc4ccccc4)n3)C2)o1
InChIInChI=1S/C17H17N5O2/c1-11-21-22-16(23-11)12-9-13(10-12)19-17-18-8-7-15(20-17)24-14-5-3-2-4-6-14/h2-8,12-13H,9-10H2,1H3,(H,18,19,20)
InChIKeyDXLUVADZYDWZRO-UHFFFAOYSA-N
XLogP3.32
TPSA85.96 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.36
LogP ≤ 53.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-(4-ethylcyclohexyl)-4-phenoxypyrimidin-2-amine
CID 167822808
4-phenoxy-N-(2-phenyloxan-4-yl)pyrimidin-2-amine
CID 167852738
2-methyl-N-(4-phenoxypyrimidin-2-yl)-4,5,6,7-tetrahydro-3H-benzimidazol-5-amine
CID 166271427
N-cyclopentyl-4-(4-fluorophenoxy)pyrimidin-2-amine
CID 56553610
N-[2-(3-methylbutyl)cyclopentyl]-4-phenoxypyrimidin-2-amine
CID 167923389
2-[(4-phenoxypyrimidin-2-yl)amino]cyclopentane-1-carbonitrile
CID 167855530
N-(3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]dithiin-5-yl)-4-phenoxypyrimidin-2-amine
CID 167881536
4-methyl-N-(4-phenoxypyrimidin-2-yl)-1,3-thiazol-2-amine
CID 24825980
N-[4-(4-methylpiperazin-1-yl)phenyl]-4-phenoxypyrimidin-2-amine
CID 172514967
tert-butyl 2-[(4-phenoxypyrimidin-2-yl)amino]cyclopentane-1-carboxylate
CID 167858499
4-methoxy-N-[(2S,4R)-2-phenyloxan-4-yl]pyrimidin-2-amine
CID 124595523
4-(4-fluorophenoxy)-N-(1-oxaspiro[5.5]undecan-4-yl)pyrimidin-2-amine
CID 133377929

Frequently Asked Questions

What is the IUPAC name of N-[3-(5-methyl-1,3,4-oxadiazol-2-yl)cyclobutyl]-4-phenoxypyrimidin-2-amine?
The IUPAC name of N-[3-(5-methyl-1,3,4-oxadiazol-2-yl)cyclobutyl]-4-phenoxypyrimidin-2-amine (CID 167810157) is N-[3-(5-methyl-1,3,4-oxadiazol-2-yl)cyclobutyl]-4-phenoxypyrimidin-2-amine.
What is the SMILES notation for N-[3-(5-methyl-1,3,4-oxadiazol-2-yl)cyclobutyl]-4-phenoxypyrimidin-2-amine?
The canonical SMILES for N-[3-(5-methyl-1,3,4-oxadiazol-2-yl)cyclobutyl]-4-phenoxypyrimidin-2-amine is Cc1nnc(C2CC(Nc3nccc(Oc4ccccc4)n3)C2)o1.
What is the InChIKey of N-[3-(5-methyl-1,3,4-oxadiazol-2-yl)cyclobutyl]-4-phenoxypyrimidin-2-amine?
The InChIKey is DXLUVADZYDWZRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N5O2/c1-11-21-22-16(23-11)12-9-13(10-12)19-17-18-8-7-15(20-17)24-14-5-3-2-4-6-14/h2-8,12-13H,9-10H2,1H3,(H,18,19,20).
What are the key properties of N-[3-(5-methyl-1,3,4-oxadiazol-2-yl)cyclobutyl]-4-phenoxypyrimidin-2-amine?
N-[3-(5-methyl-1,3,4-oxadiazol-2-yl)cyclobutyl]-4-phenoxypyrimidin-2-amine has a molecular weight of 323.36 g/mol, XLogP of 3.32, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(5-methyl-1,3,4-oxadiazol-2-yl)cyclobutyl]-4-phenoxypyrimidin-2-amine is sourced from PubChem (CID 167810157), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).