4-methyl-6-[4-[(1-methylimidazol-2-yl)methyl]piperazin-1-yl]-5-prop-2-enylpyrimidin-2-amine

C17H25N7 — CID 72906041

IUPAC4-methyl-6-[4-[(1-methylimidazol-2-yl)methyl]piperazin-1-yl]-5-prop-2-enylpyrimidin-2-amine
SMILESC=CCc1c(C)nc(N)nc1N1CCN(Cc2nccn2C)CC1
InChIInChI=1S/C17H25N7/c1-4-5-14-13(2)20-17(18)21-16(14)24-10-8-23(9-11-24)12-15-19-6-7-22(15)3/h4,6-7H,1,5,8-12H2,2-3H3,(H2,18,20,21)
InChIKeyYQHGAMMYXOZLDS-UHFFFAOYSA-N
MW327.44 g/mol
LogP1.15
Rot. Bonds5

About 4-methyl-6-[4-[(1-methylimidazol-2-yl)methyl]piperazin-1-yl]-5-prop-2-enylpyrimidin-2-amine

4-methyl-6-[4-[(1-methylimidazol-2-yl)methyl]piperazin-1-yl]-5-prop-2-enylpyrimidin-2-amine (PubChem CID 72906041) has the molecular formula C17H25N7 and a molecular weight of 327.44 g/mol. Its IUPAC name is 4-methyl-6-[4-[(1-methylimidazol-2-yl)methyl]piperazin-1-yl]-5-prop-2-enylpyrimidin-2-amine.

Molecular Properties

Compound Name4-methyl-6-[4-[(1-methylimidazol-2-yl)methyl]piperazin-1-yl]-5-prop-2-enylpyrimidin-2-amine
PubChem CID72906041
Molecular FormulaC17H25N7
Molecular Weight327.44 g/mol
Exact Mass327.22
IUPAC Name4-methyl-6-[4-[(1-methylimidazol-2-yl)methyl]piperazin-1-yl]-5-prop-2-enylpyrimidin-2-amine
SMILESC=CCc1c(C)nc(N)nc1N1CCN(Cc2nccn2C)CC1
InChIInChI=1S/C17H25N7/c1-4-5-14-13(2)20-17(18)21-16(14)24-10-8-23(9-11-24)12-15-19-6-7-22(15)3/h4,6-7H,1,5,8-12H2,2-3H3,(H2,18,20,21)
InChIKeyYQHGAMMYXOZLDS-UHFFFAOYSA-N
XLogP1.15
TPSA76.10 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.44
LogP ≤ 51.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-6-[4-[(1-methylimidazol-2-yl)methyl]piperazin-1-yl]-5-prop-2-enylpyrimidin-2-amine?
The IUPAC name of 4-methyl-6-[4-[(1-methylimidazol-2-yl)methyl]piperazin-1-yl]-5-prop-2-enylpyrimidin-2-amine (CID 72906041) is 4-methyl-6-[4-[(1-methylimidazol-2-yl)methyl]piperazin-1-yl]-5-prop-2-enylpyrimidin-2-amine.
What is the SMILES notation for 4-methyl-6-[4-[(1-methylimidazol-2-yl)methyl]piperazin-1-yl]-5-prop-2-enylpyrimidin-2-amine?
The canonical SMILES for 4-methyl-6-[4-[(1-methylimidazol-2-yl)methyl]piperazin-1-yl]-5-prop-2-enylpyrimidin-2-amine is C=CCc1c(C)nc(N)nc1N1CCN(Cc2nccn2C)CC1.
What is the InChIKey of 4-methyl-6-[4-[(1-methylimidazol-2-yl)methyl]piperazin-1-yl]-5-prop-2-enylpyrimidin-2-amine?
The InChIKey is YQHGAMMYXOZLDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N7/c1-4-5-14-13(2)20-17(18)21-16(14)24-10-8-23(9-11-24)12-15-19-6-7-22(15)3/h4,6-7H,1,5,8-12H2,2-3H3,(H2,18,20,21).
What are the key properties of 4-methyl-6-[4-[(1-methylimidazol-2-yl)methyl]piperazin-1-yl]-5-prop-2-enylpyrimidin-2-amine?
4-methyl-6-[4-[(1-methylimidazol-2-yl)methyl]piperazin-1-yl]-5-prop-2-enylpyrimidin-2-amine has a molecular weight of 327.44 g/mol, XLogP of 1.15, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-6-[4-[(1-methylimidazol-2-yl)methyl]piperazin-1-yl]-5-prop-2-enylpyrimidin-2-amine is sourced from PubChem (CID 72906041), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).