N-[2-(4,6-dimethyl-2-pyrazin-2-ylpyrimidin-5-yl)ethyl]-2-methylpropan-1-amine

C16H23N5 — CID 62744430

IUPACN-[2-(4,6-dimethyl-2-pyrazin-2-ylpyrimidin-5-yl)ethyl]-2-methylpropan-1-amine
SMILESCc1nc(-c2cnccn2)nc(C)c1CCNCC(C)C
InChIInChI=1S/C16H23N5/c1-11(2)9-17-6-5-14-12(3)20-16(21-13(14)4)15-10-18-7-8-19-15/h7-8,10-11,17H,5-6,9H2,1-4H3
InChIKeyGRQYXGGZPBXJTR-UHFFFAOYSA-N
MW285.39 g/mol
LogP2.34
Rot. Bonds6

About N-[2-(4,6-dimethyl-2-pyrazin-2-ylpyrimidin-5-yl)ethyl]-2-methylpropan-1-amine

N-[2-(4,6-dimethyl-2-pyrazin-2-ylpyrimidin-5-yl)ethyl]-2-methylpropan-1-amine (PubChem CID 62744430) has the molecular formula C16H23N5 and a molecular weight of 285.39 g/mol. Its IUPAC name is N-[2-(4,6-dimethyl-2-pyrazin-2-ylpyrimidin-5-yl)ethyl]-2-methylpropan-1-amine.

Molecular Properties

Compound NameN-[2-(4,6-dimethyl-2-pyrazin-2-ylpyrimidin-5-yl)ethyl]-2-methylpropan-1-amine
PubChem CID62744430
Molecular FormulaC16H23N5
Molecular Weight285.39 g/mol
Exact Mass285.20
IUPAC NameN-[2-(4,6-dimethyl-2-pyrazin-2-ylpyrimidin-5-yl)ethyl]-2-methylpropan-1-amine
SMILESCc1nc(-c2cnccn2)nc(C)c1CCNCC(C)C
InChIInChI=1S/C16H23N5/c1-11(2)9-17-6-5-14-12(3)20-16(21-13(14)4)15-10-18-7-8-19-15/h7-8,10-11,17H,5-6,9H2,1-4H3
InChIKeyGRQYXGGZPBXJTR-UHFFFAOYSA-N
XLogP2.34
TPSA63.59 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.39
LogP ≤ 52.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[2-(4,6-dimethyl-2-pyrazin-2-ylpyrimidin-5-yl)ethyl]-2-methylpropan-1-amine?
The IUPAC name of N-[2-(4,6-dimethyl-2-pyrazin-2-ylpyrimidin-5-yl)ethyl]-2-methylpropan-1-amine (CID 62744430) is N-[2-(4,6-dimethyl-2-pyrazin-2-ylpyrimidin-5-yl)ethyl]-2-methylpropan-1-amine.
What is the SMILES notation for N-[2-(4,6-dimethyl-2-pyrazin-2-ylpyrimidin-5-yl)ethyl]-2-methylpropan-1-amine?
The canonical SMILES for N-[2-(4,6-dimethyl-2-pyrazin-2-ylpyrimidin-5-yl)ethyl]-2-methylpropan-1-amine is Cc1nc(-c2cnccn2)nc(C)c1CCNCC(C)C.
What is the InChIKey of N-[2-(4,6-dimethyl-2-pyrazin-2-ylpyrimidin-5-yl)ethyl]-2-methylpropan-1-amine?
The InChIKey is GRQYXGGZPBXJTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N5/c1-11(2)9-17-6-5-14-12(3)20-16(21-13(14)4)15-10-18-7-8-19-15/h7-8,10-11,17H,5-6,9H2,1-4H3.
What are the key properties of N-[2-(4,6-dimethyl-2-pyrazin-2-ylpyrimidin-5-yl)ethyl]-2-methylpropan-1-amine?
N-[2-(4,6-dimethyl-2-pyrazin-2-ylpyrimidin-5-yl)ethyl]-2-methylpropan-1-amine has a molecular weight of 285.39 g/mol, XLogP of 2.34, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4,6-dimethyl-2-pyrazin-2-ylpyrimidin-5-yl)ethyl]-2-methylpropan-1-amine is sourced from PubChem (CID 62744430), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).