4-N-tert-butyl-5-fluoropyrimidine-2,4-diamine

C8H13FN4 — CID 22121290

IUPAC4-N-tert-butyl-5-fluoropyrimidine-2,4-diamine
SMILESCC(C)(C)Nc1nc(N)ncc1F
InChIInChI=1S/C8H13FN4/c1-8(2,3)13-6-5(9)4-11-7(10)12-6/h4H,1-3H3,(H3,10,11,12,13)
InChIKeyNYYWZOHCKVLPGO-UHFFFAOYSA-N
MW184.22 g/mol
LogP1.41
Rot. Bonds1

About 4-N-tert-butyl-5-fluoropyrimidine-2,4-diamine

4-N-tert-butyl-5-fluoropyrimidine-2,4-diamine (PubChem CID 22121290) has the molecular formula C8H13FN4 and a molecular weight of 184.22 g/mol. Its IUPAC name is 4-N-tert-butyl-5-fluoropyrimidine-2,4-diamine.

Molecular Properties

Compound Name4-N-tert-butyl-5-fluoropyrimidine-2,4-diamine
PubChem CID22121290
Molecular FormulaC8H13FN4
Molecular Weight184.22 g/mol
Exact Mass184.11
IUPAC Name4-N-tert-butyl-5-fluoropyrimidine-2,4-diamine
SMILESCC(C)(C)Nc1nc(N)ncc1F
InChIInChI=1S/C8H13FN4/c1-8(2,3)13-6-5(9)4-11-7(10)12-6/h4H,1-3H3,(H3,10,11,12,13)
InChIKeyNYYWZOHCKVLPGO-UHFFFAOYSA-N
XLogP1.41
TPSA63.83 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.22
LogP ≤ 51.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-N-tert-butyl-5-fluoropyrimidine-2,4-diamine?
The IUPAC name of 4-N-tert-butyl-5-fluoropyrimidine-2,4-diamine (CID 22121290) is 4-N-tert-butyl-5-fluoropyrimidine-2,4-diamine.
What is the SMILES notation for 4-N-tert-butyl-5-fluoropyrimidine-2,4-diamine?
The canonical SMILES for 4-N-tert-butyl-5-fluoropyrimidine-2,4-diamine is CC(C)(C)Nc1nc(N)ncc1F.
What is the InChIKey of 4-N-tert-butyl-5-fluoropyrimidine-2,4-diamine?
The InChIKey is NYYWZOHCKVLPGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13FN4/c1-8(2,3)13-6-5(9)4-11-7(10)12-6/h4H,1-3H3,(H3,10,11,12,13).
What are the key properties of 4-N-tert-butyl-5-fluoropyrimidine-2,4-diamine?
4-N-tert-butyl-5-fluoropyrimidine-2,4-diamine has a molecular weight of 184.22 g/mol, XLogP of 1.41, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-tert-butyl-5-fluoropyrimidine-2,4-diamine is sourced from PubChem (CID 22121290), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).