N-[[2-(3-ethyl-2-pyridinyl)-6-methylpyrimidin-4-yl]methyl]propan-1-amine

C16H22N4 — CID 82740701

IUPACN-[[2-(3-ethyl-2-pyridinyl)-6-methylpyrimidin-4-yl]methyl]propan-1-amine
SMILESCCCNCc1cc(C)nc(-c2ncccc2CC)n1
InChIInChI=1S/C16H22N4/c1-4-8-17-11-14-10-12(3)19-16(20-14)15-13(5-2)7-6-9-18-15/h6-7,9-10,17H,4-5,8,11H2,1-3H3
InChIKeyPUJPWNJVBDXMKB-UHFFFAOYSA-N
MW270.38 g/mol
LogP2.91
Rot. Bonds6

About N-[[2-(3-ethyl-2-pyridinyl)-6-methylpyrimidin-4-yl]methyl]propan-1-amine

N-[[2-(3-ethyl-2-pyridinyl)-6-methylpyrimidin-4-yl]methyl]propan-1-amine (PubChem CID 82740701) has the molecular formula C16H22N4 and a molecular weight of 270.38 g/mol. Its IUPAC name is N-[[2-(3-ethyl-2-pyridinyl)-6-methylpyrimidin-4-yl]methyl]propan-1-amine.

Molecular Properties

Compound NameN-[[2-(3-ethyl-2-pyridinyl)-6-methylpyrimidin-4-yl]methyl]propan-1-amine
PubChem CID82740701
Molecular FormulaC16H22N4
Molecular Weight270.38 g/mol
Exact Mass270.18
IUPAC NameN-[[2-(3-ethyl-2-pyridinyl)-6-methylpyrimidin-4-yl]methyl]propan-1-amine
SMILESCCCNCc1cc(C)nc(-c2ncccc2CC)n1
InChIInChI=1S/C16H22N4/c1-4-8-17-11-14-10-12(3)19-16(20-14)15-13(5-2)7-6-9-18-15/h6-7,9-10,17H,4-5,8,11H2,1-3H3
InChIKeyPUJPWNJVBDXMKB-UHFFFAOYSA-N
XLogP2.91
TPSA50.70 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.38
LogP ≤ 52.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze N-[[2-(3-ethyl-2-pyridinyl)-6-methylpyrimidin-4-yl]methyl]propan-1-amine with MolForge

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Related Compounds

[2-(3-ethyl-2-pyridinyl)-6-methylpyrimidin-4-yl]methanol
CID 82740703
2-(3-ethyl-2-pyridinyl)-6-methyl-N-propylpyrimidin-4-amine
CID 82741419
N-[(6-methyl-2-pyridin-3-ylpyrimidin-4-yl)methyl]propan-1-amine
CID 62744815
N-[(6-methyl-2-phenylpyrimidin-4-yl)methyl]propan-1-amine
CID 62745336
N-[(6-methyl-2-pyrimidin-2-ylpyrimidin-4-yl)methyl]ethanamine
CID 55114618
N-[[2-(3,4-dichlorophenyl)-6-methylpyrimidin-4-yl]methyl]propan-1-amine
CID 81492623
2-methoxy-N-[(6-methyl-2-pyridin-2-ylpyrimidin-4-yl)methyl]ethanamine
CID 62744312
[2-(3-ethyl-2-pyridinyl)pyrimidin-4-yl]methanol
CID 82740620
[2-(3-ethyl-2-pyridinyl)-6-(2-methylpropyl)pyrimidin-4-yl]hydrazine
CID 82740698
N-[[2-(4-chloro-2-methoxyphenyl)-6-methylpyrimidin-4-yl]methyl]propan-1-amine
CID 106819838
N-[(2-quinolin-6-ylpyrimidin-4-yl)methyl]propan-1-amine
CID 63094938
N-[(2-cyclooctyl-6-methylpyrimidin-4-yl)methyl]propan-1-amine
CID 80609922

Frequently Asked Questions

What is the IUPAC name of N-[[2-(3-ethyl-2-pyridinyl)-6-methylpyrimidin-4-yl]methyl]propan-1-amine?
The IUPAC name of N-[[2-(3-ethyl-2-pyridinyl)-6-methylpyrimidin-4-yl]methyl]propan-1-amine (CID 82740701) is N-[[2-(3-ethyl-2-pyridinyl)-6-methylpyrimidin-4-yl]methyl]propan-1-amine.
What is the SMILES notation for N-[[2-(3-ethyl-2-pyridinyl)-6-methylpyrimidin-4-yl]methyl]propan-1-amine?
The canonical SMILES for N-[[2-(3-ethyl-2-pyridinyl)-6-methylpyrimidin-4-yl]methyl]propan-1-amine is CCCNCc1cc(C)nc(-c2ncccc2CC)n1.
What is the InChIKey of N-[[2-(3-ethyl-2-pyridinyl)-6-methylpyrimidin-4-yl]methyl]propan-1-amine?
The InChIKey is PUJPWNJVBDXMKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N4/c1-4-8-17-11-14-10-12(3)19-16(20-14)15-13(5-2)7-6-9-18-15/h6-7,9-10,17H,4-5,8,11H2,1-3H3.
What are the key properties of N-[[2-(3-ethyl-2-pyridinyl)-6-methylpyrimidin-4-yl]methyl]propan-1-amine?
N-[[2-(3-ethyl-2-pyridinyl)-6-methylpyrimidin-4-yl]methyl]propan-1-amine has a molecular weight of 270.38 g/mol, XLogP of 2.91, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-(3-ethyl-2-pyridinyl)-6-methylpyrimidin-4-yl]methyl]propan-1-amine is sourced from PubChem (CID 82740701), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).