3-amino-6-methyl-N-[(5-methylpyrimidin-2-yl)methyl]-5-[(E)-1-[(Z)-prop-1-enoxy]but-1-enyl]pyrazine-2-carboxamide

C19H24N6O2 — CID 145085919

IUPAC3-amino-6-methyl-N-[(5-methylpyrimidin-2-yl)methyl]-5-[(E)-1-[(Z)-prop-1-enoxy]but-1-enyl]pyrazine-2-carboxamide
SMILESC/C=C\O/C(=C/CC)c1nc(N)c(C(=O)NCc2ncc(C)cn2)nc1C
InChIInChI=1S/C19H24N6O2/c1-5-7-14(27-8-6-2)16-13(4)24-17(18(20)25-16)19(26)23-11-15-21-9-12(3)10-22-15/h6-10H,5,11H2,1-4H3,(H2,20,25)(H,23,26)/b8-6-,14-7+
InChIKeyVGLQZNRAQPBEQN-VGVFFUEXSA-N
MW368.44 g/mol
LogP2.70
Rot. Bonds7

About 3-amino-6-methyl-N-[(5-methylpyrimidin-2-yl)methyl]-5-[(E)-1-[(Z)-prop-1-enoxy]but-1-enyl]pyrazine-2-carboxamide

3-amino-6-methyl-N-[(5-methylpyrimidin-2-yl)methyl]-5-[(E)-1-[(Z)-prop-1-enoxy]but-1-enyl]pyrazine-2-carboxamide (PubChem CID 145085919) has the molecular formula C19H24N6O2 and a molecular weight of 368.44 g/mol. Its IUPAC name is 3-amino-6-methyl-N-[(5-methylpyrimidin-2-yl)methyl]-5-[(E)-1-[(Z)-prop-1-enoxy]but-1-enyl]pyrazine-2-carboxamide.

Molecular Properties

Compound Name3-amino-6-methyl-N-[(5-methylpyrimidin-2-yl)methyl]-5-[(E)-1-[(Z)-prop-1-enoxy]but-1-enyl]pyrazine-2-carboxamide
PubChem CID145085919
Molecular FormulaC19H24N6O2
Molecular Weight368.44 g/mol
Exact Mass368.20
IUPAC Name3-amino-6-methyl-N-[(5-methylpyrimidin-2-yl)methyl]-5-[(E)-1-[(Z)-prop-1-enoxy]but-1-enyl]pyrazine-2-carboxamide
SMILESC/C=C\O/C(=C/CC)c1nc(N)c(C(=O)NCc2ncc(C)cn2)nc1C
InChIInChI=1S/C19H24N6O2/c1-5-7-14(27-8-6-2)16-13(4)24-17(18(20)25-16)19(26)23-11-15-21-9-12(3)10-22-15/h6-10H,5,11H2,1-4H3,(H2,20,25)(H,23,26)/b8-6-,14-7+
InChIKeyVGLQZNRAQPBEQN-VGVFFUEXSA-N
XLogP2.70
TPSA115.91 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.44
LogP ≤ 52.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-amino-6-methyl-N-[(5-methylpyrimidin-2-yl)methyl]-5-[(E)-1-[(Z)-prop-1-enoxy]but-1-enyl]pyrazine-2-carboxamide?
The IUPAC name of 3-amino-6-methyl-N-[(5-methylpyrimidin-2-yl)methyl]-5-[(E)-1-[(Z)-prop-1-enoxy]but-1-enyl]pyrazine-2-carboxamide (CID 145085919) is 3-amino-6-methyl-N-[(5-methylpyrimidin-2-yl)methyl]-5-[(E)-1-[(Z)-prop-1-enoxy]but-1-enyl]pyrazine-2-carboxamide.
What is the SMILES notation for 3-amino-6-methyl-N-[(5-methylpyrimidin-2-yl)methyl]-5-[(E)-1-[(Z)-prop-1-enoxy]but-1-enyl]pyrazine-2-carboxamide?
The canonical SMILES for 3-amino-6-methyl-N-[(5-methylpyrimidin-2-yl)methyl]-5-[(E)-1-[(Z)-prop-1-enoxy]but-1-enyl]pyrazine-2-carboxamide is C/C=C\O/C(=C/CC)c1nc(N)c(C(=O)NCc2ncc(C)cn2)nc1C.
What is the InChIKey of 3-amino-6-methyl-N-[(5-methylpyrimidin-2-yl)methyl]-5-[(E)-1-[(Z)-prop-1-enoxy]but-1-enyl]pyrazine-2-carboxamide?
The InChIKey is VGLQZNRAQPBEQN-VGVFFUEXSA-N. The full InChI is InChI=1S/C19H24N6O2/c1-5-7-14(27-8-6-2)16-13(4)24-17(18(20)25-16)19(26)23-11-15-21-9-12(3)10-22-15/h6-10H,5,11H2,1-4H3,(H2,20,25)(H,23,26)/b8-6-,14-7+.
What are the key properties of 3-amino-6-methyl-N-[(5-methylpyrimidin-2-yl)methyl]-5-[(E)-1-[(Z)-prop-1-enoxy]but-1-enyl]pyrazine-2-carboxamide?
3-amino-6-methyl-N-[(5-methylpyrimidin-2-yl)methyl]-5-[(E)-1-[(Z)-prop-1-enoxy]but-1-enyl]pyrazine-2-carboxamide has a molecular weight of 368.44 g/mol, XLogP of 2.70, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-6-methyl-N-[(5-methylpyrimidin-2-yl)methyl]-5-[(E)-1-[(Z)-prop-1-enoxy]but-1-enyl]pyrazine-2-carboxamide is sourced from PubChem (CID 145085919), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).