4-[2-(dimethylamino)ethyl]-5-fluoro-1H-pyrimidine-2,4-diamine

C8H16FN5 — CID 142779639

IUPAC4-[2-(dimethylamino)ethyl]-5-fluoro-1H-pyrimidine-2,4-diamine
SMILESCN(C)CCC1(N)N=C(N)NC=C1F
InChIInChI=1S/C8H16FN5/c1-14(2)4-3-8(11)6(9)5-12-7(10)13-8/h5H,3-4,11H2,1-2H3,(H3,10,12,13)
InChIKeyJOBFVGZUDQICJA-UHFFFAOYSA-N
MW201.25 g/mol
LogP-0.68
Rot. Bonds3

About 4-[2-(dimethylamino)ethyl]-5-fluoro-1H-pyrimidine-2,4-diamine

4-[2-(dimethylamino)ethyl]-5-fluoro-1H-pyrimidine-2,4-diamine (PubChem CID 142779639) has the molecular formula C8H16FN5 and a molecular weight of 201.25 g/mol. Its IUPAC name is 4-[2-(dimethylamino)ethyl]-5-fluoro-1H-pyrimidine-2,4-diamine.

Molecular Properties

Compound Name4-[2-(dimethylamino)ethyl]-5-fluoro-1H-pyrimidine-2,4-diamine
PubChem CID142779639
Molecular FormulaC8H16FN5
Molecular Weight201.25 g/mol
Exact Mass201.14
IUPAC Name4-[2-(dimethylamino)ethyl]-5-fluoro-1H-pyrimidine-2,4-diamine
SMILESCN(C)CCC1(N)N=C(N)NC=C1F
InChIInChI=1S/C8H16FN5/c1-14(2)4-3-8(11)6(9)5-12-7(10)13-8/h5H,3-4,11H2,1-2H3,(H3,10,12,13)
InChIKeyJOBFVGZUDQICJA-UHFFFAOYSA-N
XLogP-0.68
TPSA79.67 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.25
LogP ≤ 5-0.68
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

4-ethyl-5-fluoro-1H-pyrimidine-2,4-diamine
CID 171648861
4-[2-[ethyl(methyl)amino]ethyl]-1H-pyrimidine-2,4-diamine
CID 142576060
4-[2-(dimethylamino)ethyl]-1H-pyrimidine-2,4,6-triamine
CID 148096369
4-[2-(dimethylamino)ethyl]-1H-pyrimidine-2,4-diamine
CID 154199516
4-[3-(dimethylamino)propyl]-1H-pyrimidine-2,4-diamine
CID 154232490
4-ethyl-5-fluoro-1H-pyrimidine-2,4-diamine;hydrochloride
CID 171648860

Frequently Asked Questions

What is the IUPAC name of 4-[2-(dimethylamino)ethyl]-5-fluoro-1H-pyrimidine-2,4-diamine?
The IUPAC name of 4-[2-(dimethylamino)ethyl]-5-fluoro-1H-pyrimidine-2,4-diamine (CID 142779639) is 4-[2-(dimethylamino)ethyl]-5-fluoro-1H-pyrimidine-2,4-diamine.
What is the SMILES notation for 4-[2-(dimethylamino)ethyl]-5-fluoro-1H-pyrimidine-2,4-diamine?
The canonical SMILES for 4-[2-(dimethylamino)ethyl]-5-fluoro-1H-pyrimidine-2,4-diamine is CN(C)CCC1(N)N=C(N)NC=C1F.
What is the InChIKey of 4-[2-(dimethylamino)ethyl]-5-fluoro-1H-pyrimidine-2,4-diamine?
The InChIKey is JOBFVGZUDQICJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16FN5/c1-14(2)4-3-8(11)6(9)5-12-7(10)13-8/h5H,3-4,11H2,1-2H3,(H3,10,12,13).
What are the key properties of 4-[2-(dimethylamino)ethyl]-5-fluoro-1H-pyrimidine-2,4-diamine?
4-[2-(dimethylamino)ethyl]-5-fluoro-1H-pyrimidine-2,4-diamine has a molecular weight of 201.25 g/mol, XLogP of -0.68, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(dimethylamino)ethyl]-5-fluoro-1H-pyrimidine-2,4-diamine is sourced from PubChem (CID 142779639), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).