6-[4-[1-[2-(azetidin-1-yl)ethyl]-4-(2-methyl-4-pyridinyl)imidazol-2-yl]piperidin-1-yl]-5-ethylpyrimidin-4-amine

C25H34N8 — CID 89442688

IUPAC6-[4-[1-[2-(azetidin-1-yl)ethyl]-4-(2-methyl-4-pyridinyl)imidazol-2-yl]piperidin-1-yl]-5-ethylpyrimidin-4-amine
SMILESCCc1c(N)ncnc1N1CCC(c2nc(-c3ccnc(C)c3)cn2CCN2CCC2)CC1
InChIInChI=1S/C25H34N8/c1-3-21-23(26)28-17-29-25(21)32-11-6-19(7-12-32)24-30-22(20-5-8-27-18(2)15-20)16-33(24)14-13-31-9-4-10-31/h5,8,15-17,19H,3-4,6-7,9-14H2,1-2H3,(H2,26,28,29)
InChIKeyQHCQKCYWPJSUQX-UHFFFAOYSA-N
MW446.60 g/mol
LogP3.28
Rot. Bonds7

About 6-[4-[1-[2-(azetidin-1-yl)ethyl]-4-(2-methyl-4-pyridinyl)imidazol-2-yl]piperidin-1-yl]-5-ethylpyrimidin-4-amine

6-[4-[1-[2-(azetidin-1-yl)ethyl]-4-(2-methyl-4-pyridinyl)imidazol-2-yl]piperidin-1-yl]-5-ethylpyrimidin-4-amine (PubChem CID 89442688) has the molecular formula C25H34N8 and a molecular weight of 446.60 g/mol. Its IUPAC name is 6-[4-[1-[2-(azetidin-1-yl)ethyl]-4-(2-methyl-4-pyridinyl)imidazol-2-yl]piperidin-1-yl]-5-ethylpyrimidin-4-amine.

Molecular Properties

Compound Name6-[4-[1-[2-(azetidin-1-yl)ethyl]-4-(2-methyl-4-pyridinyl)imidazol-2-yl]piperidin-1-yl]-5-ethylpyrimidin-4-amine
PubChem CID89442688
Molecular FormulaC25H34N8
Molecular Weight446.60 g/mol
Exact Mass446.29
IUPAC Name6-[4-[1-[2-(azetidin-1-yl)ethyl]-4-(2-methyl-4-pyridinyl)imidazol-2-yl]piperidin-1-yl]-5-ethylpyrimidin-4-amine
SMILESCCc1c(N)ncnc1N1CCC(c2nc(-c3ccnc(C)c3)cn2CCN2CCC2)CC1
InChIInChI=1S/C25H34N8/c1-3-21-23(26)28-17-29-25(21)32-11-6-19(7-12-32)24-30-22(20-5-8-27-18(2)15-20)16-33(24)14-13-31-9-4-10-31/h5,8,15-17,19H,3-4,6-7,9-14H2,1-2H3,(H2,26,28,29)
InChIKeyQHCQKCYWPJSUQX-UHFFFAOYSA-N
XLogP3.28
TPSA88.99 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500446.60
LogP ≤ 53.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 6-[4-[1-[2-(azetidin-1-yl)ethyl]-4-(2-methyl-4-pyridinyl)imidazol-2-yl]piperidin-1-yl]-5-ethylpyrimidin-4-amine?
The IUPAC name of 6-[4-[1-[2-(azetidin-1-yl)ethyl]-4-(2-methyl-4-pyridinyl)imidazol-2-yl]piperidin-1-yl]-5-ethylpyrimidin-4-amine (CID 89442688) is 6-[4-[1-[2-(azetidin-1-yl)ethyl]-4-(2-methyl-4-pyridinyl)imidazol-2-yl]piperidin-1-yl]-5-ethylpyrimidin-4-amine.
What is the SMILES notation for 6-[4-[1-[2-(azetidin-1-yl)ethyl]-4-(2-methyl-4-pyridinyl)imidazol-2-yl]piperidin-1-yl]-5-ethylpyrimidin-4-amine?
The canonical SMILES for 6-[4-[1-[2-(azetidin-1-yl)ethyl]-4-(2-methyl-4-pyridinyl)imidazol-2-yl]piperidin-1-yl]-5-ethylpyrimidin-4-amine is CCc1c(N)ncnc1N1CCC(c2nc(-c3ccnc(C)c3)cn2CCN2CCC2)CC1.
What is the InChIKey of 6-[4-[1-[2-(azetidin-1-yl)ethyl]-4-(2-methyl-4-pyridinyl)imidazol-2-yl]piperidin-1-yl]-5-ethylpyrimidin-4-amine?
The InChIKey is QHCQKCYWPJSUQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H34N8/c1-3-21-23(26)28-17-29-25(21)32-11-6-19(7-12-32)24-30-22(20-5-8-27-18(2)15-20)16-33(24)14-13-31-9-4-10-31/h5,8,15-17,19H,3-4,6-7,9-14H2,1-2H3,(H2,26,28,29).
What are the key properties of 6-[4-[1-[2-(azetidin-1-yl)ethyl]-4-(2-methyl-4-pyridinyl)imidazol-2-yl]piperidin-1-yl]-5-ethylpyrimidin-4-amine?
6-[4-[1-[2-(azetidin-1-yl)ethyl]-4-(2-methyl-4-pyridinyl)imidazol-2-yl]piperidin-1-yl]-5-ethylpyrimidin-4-amine has a molecular weight of 446.60 g/mol, XLogP of 3.28, 7 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[4-[1-[2-(azetidin-1-yl)ethyl]-4-(2-methyl-4-pyridinyl)imidazol-2-yl]piperidin-1-yl]-5-ethylpyrimidin-4-amine is sourced from PubChem (CID 89442688), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).