N-[[2-(5-fluoro-2-pyridinyl)-4,6-dimethylpyrimidin-5-yl]methyl]-2-methylpropan-1-amine

C16H21FN4 — CID 79712935

IUPACN-[[2-(5-fluoro-2-pyridinyl)-4,6-dimethylpyrimidin-5-yl]methyl]-2-methylpropan-1-amine
SMILESCc1nc(-c2ccc(F)cn2)nc(C)c1CNCC(C)C
InChIInChI=1S/C16H21FN4/c1-10(2)7-18-9-14-11(3)20-16(21-12(14)4)15-6-5-13(17)8-19-15/h5-6,8,10,18H,7,9H2,1-4H3
InChIKeyBXBPVOCQLOBYPY-UHFFFAOYSA-N
MW288.37 g/mol
LogP3.04
Rot. Bonds5

About N-[[2-(5-fluoro-2-pyridinyl)-4,6-dimethylpyrimidin-5-yl]methyl]-2-methylpropan-1-amine

N-[[2-(5-fluoro-2-pyridinyl)-4,6-dimethylpyrimidin-5-yl]methyl]-2-methylpropan-1-amine (PubChem CID 79712935) has the molecular formula C16H21FN4 and a molecular weight of 288.37 g/mol. Its IUPAC name is N-[[2-(5-fluoro-2-pyridinyl)-4,6-dimethylpyrimidin-5-yl]methyl]-2-methylpropan-1-amine.

Molecular Properties

Compound NameN-[[2-(5-fluoro-2-pyridinyl)-4,6-dimethylpyrimidin-5-yl]methyl]-2-methylpropan-1-amine
PubChem CID79712935
Molecular FormulaC16H21FN4
Molecular Weight288.37 g/mol
Exact Mass288.18
IUPAC NameN-[[2-(5-fluoro-2-pyridinyl)-4,6-dimethylpyrimidin-5-yl]methyl]-2-methylpropan-1-amine
SMILESCc1nc(-c2ccc(F)cn2)nc(C)c1CNCC(C)C
InChIInChI=1S/C16H21FN4/c1-10(2)7-18-9-14-11(3)20-16(21-12(14)4)15-6-5-13(17)8-19-15/h5-6,8,10,18H,7,9H2,1-4H3
InChIKeyBXBPVOCQLOBYPY-UHFFFAOYSA-N
XLogP3.04
TPSA50.70 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.37
LogP ≤ 53.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[[2-(5-fluoro-2-pyridinyl)-4,6-dimethylpyrimidin-5-yl]methyl]-2-methylpropan-1-amine?
The IUPAC name of N-[[2-(5-fluoro-2-pyridinyl)-4,6-dimethylpyrimidin-5-yl]methyl]-2-methylpropan-1-amine (CID 79712935) is N-[[2-(5-fluoro-2-pyridinyl)-4,6-dimethylpyrimidin-5-yl]methyl]-2-methylpropan-1-amine.
What is the SMILES notation for N-[[2-(5-fluoro-2-pyridinyl)-4,6-dimethylpyrimidin-5-yl]methyl]-2-methylpropan-1-amine?
The canonical SMILES for N-[[2-(5-fluoro-2-pyridinyl)-4,6-dimethylpyrimidin-5-yl]methyl]-2-methylpropan-1-amine is Cc1nc(-c2ccc(F)cn2)nc(C)c1CNCC(C)C.
What is the InChIKey of N-[[2-(5-fluoro-2-pyridinyl)-4,6-dimethylpyrimidin-5-yl]methyl]-2-methylpropan-1-amine?
The InChIKey is BXBPVOCQLOBYPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21FN4/c1-10(2)7-18-9-14-11(3)20-16(21-12(14)4)15-6-5-13(17)8-19-15/h5-6,8,10,18H,7,9H2,1-4H3.
What are the key properties of N-[[2-(5-fluoro-2-pyridinyl)-4,6-dimethylpyrimidin-5-yl]methyl]-2-methylpropan-1-amine?
N-[[2-(5-fluoro-2-pyridinyl)-4,6-dimethylpyrimidin-5-yl]methyl]-2-methylpropan-1-amine has a molecular weight of 288.37 g/mol, XLogP of 3.04, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-(5-fluoro-2-pyridinyl)-4,6-dimethylpyrimidin-5-yl]methyl]-2-methylpropan-1-amine is sourced from PubChem (CID 79712935), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).