4-N-(3,3-dimethylbutan-2-yl)-5-fluoropyrimidine-2,4-diamine

C10H17FN4 — CID 58008601

IUPAC4-N-(3,3-dimethylbutan-2-yl)-5-fluoropyrimidine-2,4-diamine
SMILESCC(Nc1nc(N)ncc1F)C(C)(C)C
InChIInChI=1S/C10H17FN4/c1-6(10(2,3)4)14-8-7(11)5-13-9(12)15-8/h5-6H,1-4H3,(H3,12,13,14,15)
InChIKeyKPEBIBUYTASCLQ-UHFFFAOYSA-N
MW212.27 g/mol
LogP2.04
Rot. Bonds2

About 4-N-(3,3-dimethylbutan-2-yl)-5-fluoropyrimidine-2,4-diamine

4-N-(3,3-dimethylbutan-2-yl)-5-fluoropyrimidine-2,4-diamine (PubChem CID 58008601) has the molecular formula C10H17FN4 and a molecular weight of 212.27 g/mol. Its IUPAC name is 4-N-(3,3-dimethylbutan-2-yl)-5-fluoropyrimidine-2,4-diamine.

Molecular Properties

Compound Name4-N-(3,3-dimethylbutan-2-yl)-5-fluoropyrimidine-2,4-diamine
PubChem CID58008601
Molecular FormulaC10H17FN4
Molecular Weight212.27 g/mol
Exact Mass212.14
IUPAC Name4-N-(3,3-dimethylbutan-2-yl)-5-fluoropyrimidine-2,4-diamine
SMILESCC(Nc1nc(N)ncc1F)C(C)(C)C
InChIInChI=1S/C10H17FN4/c1-6(10(2,3)4)14-8-7(11)5-13-9(12)15-8/h5-6H,1-4H3,(H3,12,13,14,15)
InChIKeyKPEBIBUYTASCLQ-UHFFFAOYSA-N
XLogP2.04
TPSA63.83 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.27
LogP ≤ 52.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-N-(3,3-dimethylbutan-2-yl)-5-fluoropyrimidine-2,4-diamine?
The IUPAC name of 4-N-(3,3-dimethylbutan-2-yl)-5-fluoropyrimidine-2,4-diamine (CID 58008601) is 4-N-(3,3-dimethylbutan-2-yl)-5-fluoropyrimidine-2,4-diamine.
What is the SMILES notation for 4-N-(3,3-dimethylbutan-2-yl)-5-fluoropyrimidine-2,4-diamine?
The canonical SMILES for 4-N-(3,3-dimethylbutan-2-yl)-5-fluoropyrimidine-2,4-diamine is CC(Nc1nc(N)ncc1F)C(C)(C)C.
What is the InChIKey of 4-N-(3,3-dimethylbutan-2-yl)-5-fluoropyrimidine-2,4-diamine?
The InChIKey is KPEBIBUYTASCLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17FN4/c1-6(10(2,3)4)14-8-7(11)5-13-9(12)15-8/h5-6H,1-4H3,(H3,12,13,14,15).
What are the key properties of 4-N-(3,3-dimethylbutan-2-yl)-5-fluoropyrimidine-2,4-diamine?
4-N-(3,3-dimethylbutan-2-yl)-5-fluoropyrimidine-2,4-diamine has a molecular weight of 212.27 g/mol, XLogP of 2.04, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-(3,3-dimethylbutan-2-yl)-5-fluoropyrimidine-2,4-diamine is sourced from PubChem (CID 58008601), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).