N-[[1-(dimethylamino)cyclopentyl]methyl]-5-fluoropyrimidin-2-amine

C12H19FN4 — CID 112703113

IUPACN-[[1-(dimethylamino)cyclopentyl]methyl]-5-fluoropyrimidin-2-amine
SMILESCN(C)C1(CNc2ncc(F)cn2)CCCC1
InChIInChI=1S/C12H19FN4/c1-17(2)12(5-3-4-6-12)9-16-11-14-7-10(13)8-15-11/h7-8H,3-6,9H2,1-2H3,(H,14,15,16)
InChIKeyPYAXYFOQXDITGL-UHFFFAOYSA-N
MW238.31 g/mol
LogP1.90
Rot. Bonds4

About N-[[1-(dimethylamino)cyclopentyl]methyl]-5-fluoropyrimidin-2-amine

N-[[1-(dimethylamino)cyclopentyl]methyl]-5-fluoropyrimidin-2-amine (PubChem CID 112703113) has the molecular formula C12H19FN4 and a molecular weight of 238.31 g/mol. Its IUPAC name is N-[[1-(dimethylamino)cyclopentyl]methyl]-5-fluoropyrimidin-2-amine.

Molecular Properties

Compound NameN-[[1-(dimethylamino)cyclopentyl]methyl]-5-fluoropyrimidin-2-amine
PubChem CID112703113
Molecular FormulaC12H19FN4
Molecular Weight238.31 g/mol
Exact Mass238.16
IUPAC NameN-[[1-(dimethylamino)cyclopentyl]methyl]-5-fluoropyrimidin-2-amine
SMILESCN(C)C1(CNc2ncc(F)cn2)CCCC1
InChIInChI=1S/C12H19FN4/c1-17(2)12(5-3-4-6-12)9-16-11-14-7-10(13)8-15-11/h7-8H,3-6,9H2,1-2H3,(H,14,15,16)
InChIKeyPYAXYFOQXDITGL-UHFFFAOYSA-N
XLogP1.90
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.31
LogP ≤ 51.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[[1-(dimethylamino)cyclopentyl]methyl]-5-fluoropyrimidin-2-amine?
The IUPAC name of N-[[1-(dimethylamino)cyclopentyl]methyl]-5-fluoropyrimidin-2-amine (CID 112703113) is N-[[1-(dimethylamino)cyclopentyl]methyl]-5-fluoropyrimidin-2-amine.
What is the SMILES notation for N-[[1-(dimethylamino)cyclopentyl]methyl]-5-fluoropyrimidin-2-amine?
The canonical SMILES for N-[[1-(dimethylamino)cyclopentyl]methyl]-5-fluoropyrimidin-2-amine is CN(C)C1(CNc2ncc(F)cn2)CCCC1.
What is the InChIKey of N-[[1-(dimethylamino)cyclopentyl]methyl]-5-fluoropyrimidin-2-amine?
The InChIKey is PYAXYFOQXDITGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19FN4/c1-17(2)12(5-3-4-6-12)9-16-11-14-7-10(13)8-15-11/h7-8H,3-6,9H2,1-2H3,(H,14,15,16).
What are the key properties of N-[[1-(dimethylamino)cyclopentyl]methyl]-5-fluoropyrimidin-2-amine?
N-[[1-(dimethylamino)cyclopentyl]methyl]-5-fluoropyrimidin-2-amine has a molecular weight of 238.31 g/mol, XLogP of 1.90, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(dimethylamino)cyclopentyl]methyl]-5-fluoropyrimidin-2-amine is sourced from PubChem (CID 112703113), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).