N-(4-ethoxy-2-methyl-5-propan-2-ylphenyl)-2-(3-fluoropiperidin-1-yl)pyrimidin-4-amine;1H-imidazole

C24H33FN6O — CID 143736995

IUPACN-(4-ethoxy-2-methyl-5-propan-2-ylphenyl)-2-(3-fluoropiperidin-1-yl)pyrimidin-4-amine;1H-imidazole
SMILESCCOc1cc(C)c(Nc2ccnc(N3CCCC(F)C3)n2)cc1C(C)C.c1c[nH]cn1
InChIInChI=1S/C21H29FN4O.C3H4N2/c1-5-27-19-11-15(4)18(12-17(19)14(2)3)24-20-8-9-23-21(25-20)26-10-6-7-16(22)13-26;1-2-5-3-4-1/h8-9,11-12,14,16H,5-7,10,13H2,1-4H3,(H,23,24,25);1-3H,(H,4,5)
InChIKeyBPDMLWYFWDPHDH-UHFFFAOYSA-N
MW440.57 g/mol
LogP5.40
Rot. Bonds6

About N-(4-ethoxy-2-methyl-5-propan-2-ylphenyl)-2-(3-fluoropiperidin-1-yl)pyrimidin-4-amine;1H-imidazole

N-(4-ethoxy-2-methyl-5-propan-2-ylphenyl)-2-(3-fluoropiperidin-1-yl)pyrimidin-4-amine;1H-imidazole (PubChem CID 143736995) has the molecular formula C24H33FN6O and a molecular weight of 440.57 g/mol. Its IUPAC name is N-(4-ethoxy-2-methyl-5-propan-2-ylphenyl)-2-(3-fluoropiperidin-1-yl)pyrimidin-4-amine;1H-imidazole.

Molecular Properties

Compound NameN-(4-ethoxy-2-methyl-5-propan-2-ylphenyl)-2-(3-fluoropiperidin-1-yl)pyrimidin-4-amine;1H-imidazole
PubChem CID143736995
Molecular FormulaC24H33FN6O
Molecular Weight440.57 g/mol
Exact Mass440.27
IUPAC NameN-(4-ethoxy-2-methyl-5-propan-2-ylphenyl)-2-(3-fluoropiperidin-1-yl)pyrimidin-4-amine;1H-imidazole
SMILESCCOc1cc(C)c(Nc2ccnc(N3CCCC(F)C3)n2)cc1C(C)C.c1c[nH]cn1
InChIInChI=1S/C21H29FN4O.C3H4N2/c1-5-27-19-11-15(4)18(12-17(19)14(2)3)24-20-8-9-23-21(25-20)26-10-6-7-16(22)13-26;1-2-5-3-4-1/h8-9,11-12,14,16H,5-7,10,13H2,1-4H3,(H,23,24,25);1-3H,(H,4,5)
InChIKeyBPDMLWYFWDPHDH-UHFFFAOYSA-N
XLogP5.40
TPSA78.96 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500440.57
LogP ≤ 55.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze N-(4-ethoxy-2-methyl-5-propan-2-ylphenyl)-2-(3-fluoropiperidin-1-yl)pyrimidin-4-amine;1H-imidazole with MolForge

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Related Compounds

N-(4-ethoxy-2-methyl-5-propan-2-ylphenyl)-2-[4-(pyridin-4-ylmethyl)piperidin-1-yl]pyrimidin-4-amine
CID 44816003
2-[(3S)-3-fluoropiperidin-1-yl]-4-methylpyrimidine
CID 129349446
N-(4-chloro-2-methoxy-5-methylphenyl)-2-(3-methylpiperidin-1-yl)pyrimidin-4-amine
CID 112901152
N-(2-ethoxyphenyl)-2-piperidin-1-ylpyrimidin-4-amine
CID 112884703
2-[4-(4-bromoimidazol-1-yl)piperidin-1-yl]-N-(2,4-dimethyl-5-propan-2-ylphenyl)pyrimidin-4-amine
CID 143736990
2-(3-fluoropiperidin-1-yl)-4-methoxypyrimidine
CID 171701610
2-[3,3-dimethyl-4-(pyridin-4-ylmethyl)piperidin-1-yl]-N-(4-ethoxy-2-methyl-5-propan-2-ylphenyl)-7-methylpurin-6-amine
CID 44815174
N-butan-2-yl-2-(3-methylpiperidin-1-yl)pyrimidin-4-amine
CID 112883550
N-(2-propan-2-ylphenyl)-2-(4-pyrimidin-2-ylpiperazin-1-yl)pyrimidin-4-amine
CID 112899006
3-fluoro-1-[4-[[8-(methylamino)-5-propan-2-yl-2,7-naphthyridin-3-yl]amino]pyrimidin-2-yl]piperidin-4-ol
CID 175575140
N-(4-ethoxy-2-methyl-5-propan-2-ylphenyl)-5-fluoro-2-[4-(4-methoxyphenyl)-3,3-dimethylpiperazin-1-yl]pyrimidin-4-amine
CID 59443365
1-[4-(2-fluoroanilino)pyrimidin-2-yl]-N-(2-methylpropyl)piperidine-3-carboxamide
CID 134799597

Frequently Asked Questions

What is the IUPAC name of N-(4-ethoxy-2-methyl-5-propan-2-ylphenyl)-2-(3-fluoropiperidin-1-yl)pyrimidin-4-amine;1H-imidazole?
The IUPAC name of N-(4-ethoxy-2-methyl-5-propan-2-ylphenyl)-2-(3-fluoropiperidin-1-yl)pyrimidin-4-amine;1H-imidazole (CID 143736995) is N-(4-ethoxy-2-methyl-5-propan-2-ylphenyl)-2-(3-fluoropiperidin-1-yl)pyrimidin-4-amine;1H-imidazole.
What is the SMILES notation for N-(4-ethoxy-2-methyl-5-propan-2-ylphenyl)-2-(3-fluoropiperidin-1-yl)pyrimidin-4-amine;1H-imidazole?
The canonical SMILES for N-(4-ethoxy-2-methyl-5-propan-2-ylphenyl)-2-(3-fluoropiperidin-1-yl)pyrimidin-4-amine;1H-imidazole is CCOc1cc(C)c(Nc2ccnc(N3CCCC(F)C3)n2)cc1C(C)C.c1c[nH]cn1.
What is the InChIKey of N-(4-ethoxy-2-methyl-5-propan-2-ylphenyl)-2-(3-fluoropiperidin-1-yl)pyrimidin-4-amine;1H-imidazole?
The InChIKey is BPDMLWYFWDPHDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H29FN4O.C3H4N2/c1-5-27-19-11-15(4)18(12-17(19)14(2)3)24-20-8-9-23-21(25-20)26-10-6-7-16(22)13-26;1-2-5-3-4-1/h8-9,11-12,14,16H,5-7,10,13H2,1-4H3,(H,23,24,25);1-3H,(H,4,5).
What are the key properties of N-(4-ethoxy-2-methyl-5-propan-2-ylphenyl)-2-(3-fluoropiperidin-1-yl)pyrimidin-4-amine;1H-imidazole?
N-(4-ethoxy-2-methyl-5-propan-2-ylphenyl)-2-(3-fluoropiperidin-1-yl)pyrimidin-4-amine;1H-imidazole has a molecular weight of 440.57 g/mol, XLogP of 5.40, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-ethoxy-2-methyl-5-propan-2-ylphenyl)-2-(3-fluoropiperidin-1-yl)pyrimidin-4-amine;1H-imidazole is sourced from PubChem (CID 143736995), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).