N-[[4,6-dimethyl-2-(4-methyl-2-pyridinyl)pyrimidin-5-yl]methyl]propan-1-amine

C16H22N4 — CID 63839795

IUPACN-[[4,6-dimethyl-2-(4-methyl-2-pyridinyl)pyrimidin-5-yl]methyl]propan-1-amine
SMILESCCCNCc1c(C)nc(-c2cc(C)ccn2)nc1C
InChIInChI=1S/C16H22N4/c1-5-7-17-10-14-12(3)19-16(20-13(14)4)15-9-11(2)6-8-18-15/h6,8-9,17H,5,7,10H2,1-4H3
InChIKeyVTTSZLJUPSJFEV-UHFFFAOYSA-N
MW270.38 g/mol
LogP2.96
Rot. Bonds5

About N-[[4,6-dimethyl-2-(4-methyl-2-pyridinyl)pyrimidin-5-yl]methyl]propan-1-amine

N-[[4,6-dimethyl-2-(4-methyl-2-pyridinyl)pyrimidin-5-yl]methyl]propan-1-amine (PubChem CID 63839795) has the molecular formula C16H22N4 and a molecular weight of 270.38 g/mol. Its IUPAC name is N-[[4,6-dimethyl-2-(4-methyl-2-pyridinyl)pyrimidin-5-yl]methyl]propan-1-amine.

Molecular Properties

Compound NameN-[[4,6-dimethyl-2-(4-methyl-2-pyridinyl)pyrimidin-5-yl]methyl]propan-1-amine
PubChem CID63839795
Molecular FormulaC16H22N4
Molecular Weight270.38 g/mol
Exact Mass270.18
IUPAC NameN-[[4,6-dimethyl-2-(4-methyl-2-pyridinyl)pyrimidin-5-yl]methyl]propan-1-amine
SMILESCCCNCc1c(C)nc(-c2cc(C)ccn2)nc1C
InChIInChI=1S/C16H22N4/c1-5-7-17-10-14-12(3)19-16(20-13(14)4)15-9-11(2)6-8-18-15/h6,8-9,17H,5,7,10H2,1-4H3
InChIKeyVTTSZLJUPSJFEV-UHFFFAOYSA-N
XLogP2.96
TPSA50.70 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.38
LogP ≤ 52.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-[[4,6-dimethyl-2-(4-methyl-2-pyridinyl)pyrimidin-5-yl]methyl]-2-methylpropan-1-amine
CID 63839957
N-[[2-(3,4-dichlorophenyl)-4,6-dimethylpyrimidin-5-yl]methyl]propan-1-amine
CID 81495126
N-[(4,6-dimethyl-2-pyridin-2-ylpyrimidin-5-yl)methyl]ethanamine
CID 62744443
3-[4,6-dimethyl-2-(4-methyl-2-pyridinyl)pyrimidin-5-yl]-2-methylpropan-1-amine
CID 65293667
N-[[4,6-dimethyl-2-[(3-methylphenyl)methyl]pyrimidin-5-yl]methyl]propan-1-amine
CID 62746002
N-[[4-(methoxymethyl)-2-(4-methyl-2-pyridinyl)-1,3-thiazol-5-yl]methyl]propan-1-amine
CID 114366425
N-[[2-(2-chlorophenyl)-4,6-dimethylpyrimidin-5-yl]methyl]propan-1-amine
CID 62745500
N-[(4,6-dimethyl-2-pyrimidin-4-ylpyrimidin-5-yl)methyl]-2-methoxyethanamine
CID 63989399
2-[4,6-diethyl-2-(4-methyl-2-pyridinyl)pyrimidin-5-yl]ethanamine
CID 79220285
N-[[4,6-dimethyl-2-(3-methylphenyl)pyrimidin-5-yl]methyl]ethanamine
CID 55113779
4-(4-methyl-2-pyridinyl)-N-propylbenzamide
CID 59673771
2-[4,6-diethyl-2-(4-methyl-2-pyridinyl)pyrimidin-5-yl]acetic acid
CID 79219022

Frequently Asked Questions

What is the IUPAC name of N-[[4,6-dimethyl-2-(4-methyl-2-pyridinyl)pyrimidin-5-yl]methyl]propan-1-amine?
The IUPAC name of N-[[4,6-dimethyl-2-(4-methyl-2-pyridinyl)pyrimidin-5-yl]methyl]propan-1-amine (CID 63839795) is N-[[4,6-dimethyl-2-(4-methyl-2-pyridinyl)pyrimidin-5-yl]methyl]propan-1-amine.
What is the SMILES notation for N-[[4,6-dimethyl-2-(4-methyl-2-pyridinyl)pyrimidin-5-yl]methyl]propan-1-amine?
The canonical SMILES for N-[[4,6-dimethyl-2-(4-methyl-2-pyridinyl)pyrimidin-5-yl]methyl]propan-1-amine is CCCNCc1c(C)nc(-c2cc(C)ccn2)nc1C.
What is the InChIKey of N-[[4,6-dimethyl-2-(4-methyl-2-pyridinyl)pyrimidin-5-yl]methyl]propan-1-amine?
The InChIKey is VTTSZLJUPSJFEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N4/c1-5-7-17-10-14-12(3)19-16(20-13(14)4)15-9-11(2)6-8-18-15/h6,8-9,17H,5,7,10H2,1-4H3.
What are the key properties of N-[[4,6-dimethyl-2-(4-methyl-2-pyridinyl)pyrimidin-5-yl]methyl]propan-1-amine?
N-[[4,6-dimethyl-2-(4-methyl-2-pyridinyl)pyrimidin-5-yl]methyl]propan-1-amine has a molecular weight of 270.38 g/mol, XLogP of 2.96, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4,6-dimethyl-2-(4-methyl-2-pyridinyl)pyrimidin-5-yl]methyl]propan-1-amine is sourced from PubChem (CID 63839795), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).