4-ethyl-5-fluoro-1H-pyrimidine-2,4-diamine

C6H11FN4 — CID 171648861

IUPAC4-ethyl-5-fluoro-1H-pyrimidine-2,4-diamine
SMILESCCC1(N)N=C(N)NC=C1F
InChIInChI=1S/C6H11FN4/c1-2-6(9)4(7)3-10-5(8)11-6/h3H,2,9H2,1H3,(H3,8,10,11)
InChIKeyXFKTUQBTILWKOA-UHFFFAOYSA-N
MW158.18 g/mol
LogP-0.22
Rot. Bonds1

About 4-ethyl-5-fluoro-1H-pyrimidine-2,4-diamine

4-ethyl-5-fluoro-1H-pyrimidine-2,4-diamine (PubChem CID 171648861) has the molecular formula C6H11FN4 and a molecular weight of 158.18 g/mol. Its IUPAC name is 4-ethyl-5-fluoro-1H-pyrimidine-2,4-diamine.

Molecular Properties

Compound Name4-ethyl-5-fluoro-1H-pyrimidine-2,4-diamine
PubChem CID171648861
Molecular FormulaC6H11FN4
Molecular Weight158.18 g/mol
Exact Mass158.10
IUPAC Name4-ethyl-5-fluoro-1H-pyrimidine-2,4-diamine
SMILESCCC1(N)N=C(N)NC=C1F
InChIInChI=1S/C6H11FN4/c1-2-6(9)4(7)3-10-5(8)11-6/h3H,2,9H2,1H3,(H3,8,10,11)
InChIKeyXFKTUQBTILWKOA-UHFFFAOYSA-N
XLogP-0.22
TPSA76.43 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500158.18
LogP ≤ 5-0.22
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

4-Ethyl-5-fluoro-1,4-dihydropyrimidin-2-amine
CID 89750398
5-fluoro-N,N,4-trimethyl-1,4-dihydropyrimidin-2-amine
CID 89750410
5-Fluoro-4-methyl-1,4-dihydropyrimidin-2-amine
CID 89750428
5-fluoro-N,4-dimethyl-3,4-dihydro-1H-pyrimidin-2-imine
CID 136655966
4-[2-(dimethylamino)ethyl]-5-fluoro-1H-pyrimidine-2,4-diamine
CID 142779639
4-(2,2,2-trifluoroethyl)-1H-pyrimidine-2,4-diamine
CID 143515499
4-methyl-5-(trifluoromethyl)-1H-pyrimidine-2,4-diamine
CID 154168925
4-ethyl-5-(trifluoromethyl)-1H-pyrimidine-2,4-diamine
CID 154281463
4-ethyl-1H-pyrimidine-2,4-diamine
CID 67413305
4-methyl-1H-pyrimidine-2,4-diamine
CID 68412964
4-propyl-1H-pyrimidine-2,4-diamine
CID 143394966
Ethane;5-fluoro-4-methyl-1,4-dihydropyrimidin-2-amine
CID 145622466

Frequently Asked Questions

What is the IUPAC name of 4-ethyl-5-fluoro-1H-pyrimidine-2,4-diamine?
The IUPAC name of 4-ethyl-5-fluoro-1H-pyrimidine-2,4-diamine (CID 171648861) is 4-ethyl-5-fluoro-1H-pyrimidine-2,4-diamine.
What is the SMILES notation for 4-ethyl-5-fluoro-1H-pyrimidine-2,4-diamine?
The canonical SMILES for 4-ethyl-5-fluoro-1H-pyrimidine-2,4-diamine is CCC1(N)N=C(N)NC=C1F.
What is the InChIKey of 4-ethyl-5-fluoro-1H-pyrimidine-2,4-diamine?
The InChIKey is XFKTUQBTILWKOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11FN4/c1-2-6(9)4(7)3-10-5(8)11-6/h3H,2,9H2,1H3,(H3,8,10,11).
What are the key properties of 4-ethyl-5-fluoro-1H-pyrimidine-2,4-diamine?
4-ethyl-5-fluoro-1H-pyrimidine-2,4-diamine has a molecular weight of 158.18 g/mol, XLogP of -0.22, 1 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-5-fluoro-1H-pyrimidine-2,4-diamine is sourced from PubChem (CID 171648861), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).