5-[4-[1-[3-imino-3-(6-methyl-3-pyridinyl)propanimidoyl]cyclobutyl]phenyl]pyrimidin-2-amine

C23H24N6 — CID 123153971

IUPAC5-[4-[1-[3-imino-3-(6-methyl-3-pyridinyl)propanimidoyl]cyclobutyl]phenyl]pyrimidin-2-amine
SMILES[H]/N=C(/C/C(=N\[H])C1(c2ccc(-c3cnc(N)nc3)cc2)CCC1)c1ccc(C)nc1
InChIInChI=1S/C23H24N6/c1-15-3-4-17(12-27-15)20(24)11-21(25)23(9-2-10-23)19-7-5-16(6-8-19)18-13-28-22(26)29-14-18/h3-8,12-14,24-25H,2,9-11H2,1H3,(H2,26,28,29)/b24-20-,25-21+
InChIKeyLSCIODZXUUSDQR-FXYBLIFYSA-N
MW384.49 g/mol
LogP4.33
Rot. Bonds6

About 5-[4-[1-[3-imino-3-(6-methyl-3-pyridinyl)propanimidoyl]cyclobutyl]phenyl]pyrimidin-2-amine

5-[4-[1-[3-imino-3-(6-methyl-3-pyridinyl)propanimidoyl]cyclobutyl]phenyl]pyrimidin-2-amine (PubChem CID 123153971) has the molecular formula C23H24N6 and a molecular weight of 384.49 g/mol. Its IUPAC name is 5-[4-[1-[3-imino-3-(6-methyl-3-pyridinyl)propanimidoyl]cyclobutyl]phenyl]pyrimidin-2-amine.

Molecular Properties

Compound Name5-[4-[1-[3-imino-3-(6-methyl-3-pyridinyl)propanimidoyl]cyclobutyl]phenyl]pyrimidin-2-amine
PubChem CID123153971
Molecular FormulaC23H24N6
Molecular Weight384.49 g/mol
Exact Mass384.21
IUPAC Name5-[4-[1-[3-imino-3-(6-methyl-3-pyridinyl)propanimidoyl]cyclobutyl]phenyl]pyrimidin-2-amine
SMILES[H]/N=C(/C/C(=N\[H])C1(c2ccc(-c3cnc(N)nc3)cc2)CCC1)c1ccc(C)nc1
InChIInChI=1S/C23H24N6/c1-15-3-4-17(12-27-15)20(24)11-21(25)23(9-2-10-23)19-7-5-16(6-8-19)18-13-28-22(26)29-14-18/h3-8,12-14,24-25H,2,9-11H2,1H3,(H2,26,28,29)/b24-20-,25-21+
InChIKeyLSCIODZXUUSDQR-FXYBLIFYSA-N
XLogP4.33
TPSA112.39 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.49
LogP ≤ 54.33
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-[4-[1-[3-imino-3-(6-methyl-3-pyridinyl)propanimidoyl]cyclobutyl]phenyl]pyrimidin-2-amine?
The IUPAC name of 5-[4-[1-[3-imino-3-(6-methyl-3-pyridinyl)propanimidoyl]cyclobutyl]phenyl]pyrimidin-2-amine (CID 123153971) is 5-[4-[1-[3-imino-3-(6-methyl-3-pyridinyl)propanimidoyl]cyclobutyl]phenyl]pyrimidin-2-amine.
What is the SMILES notation for 5-[4-[1-[3-imino-3-(6-methyl-3-pyridinyl)propanimidoyl]cyclobutyl]phenyl]pyrimidin-2-amine?
The canonical SMILES for 5-[4-[1-[3-imino-3-(6-methyl-3-pyridinyl)propanimidoyl]cyclobutyl]phenyl]pyrimidin-2-amine is [H]/N=C(/C/C(=N\[H])C1(c2ccc(-c3cnc(N)nc3)cc2)CCC1)c1ccc(C)nc1.
What is the InChIKey of 5-[4-[1-[3-imino-3-(6-methyl-3-pyridinyl)propanimidoyl]cyclobutyl]phenyl]pyrimidin-2-amine?
The InChIKey is LSCIODZXUUSDQR-FXYBLIFYSA-N. The full InChI is InChI=1S/C23H24N6/c1-15-3-4-17(12-27-15)20(24)11-21(25)23(9-2-10-23)19-7-5-16(6-8-19)18-13-28-22(26)29-14-18/h3-8,12-14,24-25H,2,9-11H2,1H3,(H2,26,28,29)/b24-20-,25-21+.
What are the key properties of 5-[4-[1-[3-imino-3-(6-methyl-3-pyridinyl)propanimidoyl]cyclobutyl]phenyl]pyrimidin-2-amine?
5-[4-[1-[3-imino-3-(6-methyl-3-pyridinyl)propanimidoyl]cyclobutyl]phenyl]pyrimidin-2-amine has a molecular weight of 384.49 g/mol, XLogP of 4.33, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-[1-[3-imino-3-(6-methyl-3-pyridinyl)propanimidoyl]cyclobutyl]phenyl]pyrimidin-2-amine is sourced from PubChem (CID 123153971), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).