N-ethyl-4-[5-(4-fluorophenyl)-3-(1-methylpiperidin-4-yl)imidazol-4-yl]pyrimidin-2-amine

C21H25FN6 — CID 23133388

IUPACN-ethyl-4-[5-(4-fluorophenyl)-3-(1-methylpiperidin-4-yl)imidazol-4-yl]pyrimidin-2-amine
SMILESCCNc1nccc(-c2c(-c3ccc(F)cc3)ncn2C2CCN(C)CC2)n1
InChIInChI=1S/C21H25FN6/c1-3-23-21-24-11-8-18(26-21)20-19(15-4-6-16(22)7-5-15)25-14-28(20)17-9-12-27(2)13-10-17/h4-8,11,14,17H,3,9-10,12-13H2,1-2H3,(H,23,24,26)
InChIKeyCXEXTPDLKDYOMC-UHFFFAOYSA-N
MW380.47 g/mol
LogP3.84
Rot. Bonds5

About N-ethyl-4-[5-(4-fluorophenyl)-3-(1-methylpiperidin-4-yl)imidazol-4-yl]pyrimidin-2-amine

N-ethyl-4-[5-(4-fluorophenyl)-3-(1-methylpiperidin-4-yl)imidazol-4-yl]pyrimidin-2-amine (PubChem CID 23133388) has the molecular formula C21H25FN6 and a molecular weight of 380.47 g/mol. Its IUPAC name is N-ethyl-4-[5-(4-fluorophenyl)-3-(1-methylpiperidin-4-yl)imidazol-4-yl]pyrimidin-2-amine.

Molecular Properties

Compound NameN-ethyl-4-[5-(4-fluorophenyl)-3-(1-methylpiperidin-4-yl)imidazol-4-yl]pyrimidin-2-amine
PubChem CID23133388
Molecular FormulaC21H25FN6
Molecular Weight380.47 g/mol
Exact Mass380.21
IUPAC NameN-ethyl-4-[5-(4-fluorophenyl)-3-(1-methylpiperidin-4-yl)imidazol-4-yl]pyrimidin-2-amine
SMILESCCNc1nccc(-c2c(-c3ccc(F)cc3)ncn2C2CCN(C)CC2)n1
InChIInChI=1S/C21H25FN6/c1-3-23-21-24-11-8-18(26-21)20-19(15-4-6-16(22)7-5-15)25-14-28(20)17-9-12-27(2)13-10-17/h4-8,11,14,17H,3,9-10,12-13H2,1-2H3,(H,23,24,26)
InChIKeyCXEXTPDLKDYOMC-UHFFFAOYSA-N
XLogP3.84
TPSA58.87 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.47
LogP ≤ 53.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-4-[5-(4-fluorophenyl)-3-(1-methylpiperidin-4-yl)imidazol-4-yl]pyrimidin-2-amine?
The IUPAC name of N-ethyl-4-[5-(4-fluorophenyl)-3-(1-methylpiperidin-4-yl)imidazol-4-yl]pyrimidin-2-amine (CID 23133388) is N-ethyl-4-[5-(4-fluorophenyl)-3-(1-methylpiperidin-4-yl)imidazol-4-yl]pyrimidin-2-amine.
What is the SMILES notation for N-ethyl-4-[5-(4-fluorophenyl)-3-(1-methylpiperidin-4-yl)imidazol-4-yl]pyrimidin-2-amine?
The canonical SMILES for N-ethyl-4-[5-(4-fluorophenyl)-3-(1-methylpiperidin-4-yl)imidazol-4-yl]pyrimidin-2-amine is CCNc1nccc(-c2c(-c3ccc(F)cc3)ncn2C2CCN(C)CC2)n1.
What is the InChIKey of N-ethyl-4-[5-(4-fluorophenyl)-3-(1-methylpiperidin-4-yl)imidazol-4-yl]pyrimidin-2-amine?
The InChIKey is CXEXTPDLKDYOMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25FN6/c1-3-23-21-24-11-8-18(26-21)20-19(15-4-6-16(22)7-5-15)25-14-28(20)17-9-12-27(2)13-10-17/h4-8,11,14,17H,3,9-10,12-13H2,1-2H3,(H,23,24,26).
What are the key properties of N-ethyl-4-[5-(4-fluorophenyl)-3-(1-methylpiperidin-4-yl)imidazol-4-yl]pyrimidin-2-amine?
N-ethyl-4-[5-(4-fluorophenyl)-3-(1-methylpiperidin-4-yl)imidazol-4-yl]pyrimidin-2-amine has a molecular weight of 380.47 g/mol, XLogP of 3.84, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-4-[5-(4-fluorophenyl)-3-(1-methylpiperidin-4-yl)imidazol-4-yl]pyrimidin-2-amine is sourced from PubChem (CID 23133388), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).