2-fluoropyrimidine-4,6-diamine

C4H5FN4 — CID 90177245

IUPAC2-fluoropyrimidine-4,6-diamine
SMILESNc1cc(N)nc(F)n1
InChIInChI=1S/C4H5FN4/c5-4-8-2(6)1-3(7)9-4/h1H,(H4,6,7,8,9)
InChIKeyUDMNPWAKSILKIW-UHFFFAOYSA-N
MW128.11 g/mol
LogP-0.22
Rot. Bonds

About 2-fluoropyrimidine-4,6-diamine

2-fluoropyrimidine-4,6-diamine (PubChem CID 90177245) has the molecular formula C4H5FN4 and a molecular weight of 128.11 g/mol. Its IUPAC name is 2-fluoropyrimidine-4,6-diamine.

Molecular Properties

Compound Name2-fluoropyrimidine-4,6-diamine
PubChem CID90177245
Molecular FormulaC4H5FN4
Molecular Weight128.11 g/mol
Exact Mass128.05
IUPAC Name2-fluoropyrimidine-4,6-diamine
SMILESNc1cc(N)nc(F)n1
InChIInChI=1S/C4H5FN4/c5-4-8-2(6)1-3(7)9-4/h1H,(H4,6,7,8,9)
InChIKeyUDMNPWAKSILKIW-UHFFFAOYSA-N
XLogP-0.22
TPSA77.82 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500128.11
LogP ≤ 5-0.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2,4,6-Triaminopyrimidine
CID 13863
4-Pyrimidinamine, 2,6-dichloro-
CID 82387
2,4-Diamino-6-chloropyrimidine
CID 67432
Pyrimidine-4,6-diamine
CID 79608
2-Methylthiopyrimidine-4,6-diamine
CID 70497
6-Chloro-2-methylpyrimidin-4-amine
CID 286754
2-Fluoropyrimidin-4-amine
CID 339392
4,6-Pyrimidinediamine, monohydrochloride
CID 79607
(4,6-Diaminopyrimidin-2-yl)methanethiol
CID 237409
2,6-difluoro-N-methylpyrimidin-4-amine
CID 3941302
4-N,4-N,6-N-trimethylpyrimidine-2,4,6-triamine
CID 79006691
6-Chloro-2-(trifluoromethyl)pyrimidin-4-amine
CID 245271

Frequently Asked Questions

What is the IUPAC name of 2-fluoropyrimidine-4,6-diamine?
The IUPAC name of 2-fluoropyrimidine-4,6-diamine (CID 90177245) is 2-fluoropyrimidine-4,6-diamine.
What is the SMILES notation for 2-fluoropyrimidine-4,6-diamine?
The canonical SMILES for 2-fluoropyrimidine-4,6-diamine is Nc1cc(N)nc(F)n1.
What is the InChIKey of 2-fluoropyrimidine-4,6-diamine?
The InChIKey is UDMNPWAKSILKIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H5FN4/c5-4-8-2(6)1-3(7)9-4/h1H,(H4,6,7,8,9).
What are the key properties of 2-fluoropyrimidine-4,6-diamine?
2-fluoropyrimidine-4,6-diamine has a molecular weight of 128.11 g/mol, XLogP of -0.22, 0 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoropyrimidine-4,6-diamine is sourced from PubChem (CID 90177245), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).