N-(2,2-dimethylpropyl)-5-fluoro-6-methylpyrimidin-4-amine

C10H16FN3 — CID 103634936

IUPACN-(2,2-dimethylpropyl)-5-fluoro-6-methylpyrimidin-4-amine
SMILESCc1ncnc(NCC(C)(C)C)c1F
InChIInChI=1S/C10H16FN3/c1-7-8(11)9(14-6-13-7)12-5-10(2,3)4/h6H,5H2,1-4H3,(H,12,13,14)
InChIKeyBTUVIZXPYLHTHV-UHFFFAOYSA-N
MW197.26 g/mol
LogP2.38
Rot. Bonds2

About N-(2,2-dimethylpropyl)-5-fluoro-6-methylpyrimidin-4-amine

N-(2,2-dimethylpropyl)-5-fluoro-6-methylpyrimidin-4-amine (PubChem CID 103634936) has the molecular formula C10H16FN3 and a molecular weight of 197.26 g/mol. Its IUPAC name is N-(2,2-dimethylpropyl)-5-fluoro-6-methylpyrimidin-4-amine.

Molecular Properties

Compound NameN-(2,2-dimethylpropyl)-5-fluoro-6-methylpyrimidin-4-amine
PubChem CID103634936
Molecular FormulaC10H16FN3
Molecular Weight197.26 g/mol
Exact Mass197.13
IUPAC NameN-(2,2-dimethylpropyl)-5-fluoro-6-methylpyrimidin-4-amine
SMILESCc1ncnc(NCC(C)(C)C)c1F
InChIInChI=1S/C10H16FN3/c1-7-8(11)9(14-6-13-7)12-5-10(2,3)4/h6H,5H2,1-4H3,(H,12,13,14)
InChIKeyBTUVIZXPYLHTHV-UHFFFAOYSA-N
XLogP2.38
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.26
LogP ≤ 52.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(2,2-dimethylpropyl)-5-fluoro-6-methylpyrimidin-4-amine?
The IUPAC name of N-(2,2-dimethylpropyl)-5-fluoro-6-methylpyrimidin-4-amine (CID 103634936) is N-(2,2-dimethylpropyl)-5-fluoro-6-methylpyrimidin-4-amine.
What is the SMILES notation for N-(2,2-dimethylpropyl)-5-fluoro-6-methylpyrimidin-4-amine?
The canonical SMILES for N-(2,2-dimethylpropyl)-5-fluoro-6-methylpyrimidin-4-amine is Cc1ncnc(NCC(C)(C)C)c1F.
What is the InChIKey of N-(2,2-dimethylpropyl)-5-fluoro-6-methylpyrimidin-4-amine?
The InChIKey is BTUVIZXPYLHTHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16FN3/c1-7-8(11)9(14-6-13-7)12-5-10(2,3)4/h6H,5H2,1-4H3,(H,12,13,14).
What are the key properties of N-(2,2-dimethylpropyl)-5-fluoro-6-methylpyrimidin-4-amine?
N-(2,2-dimethylpropyl)-5-fluoro-6-methylpyrimidin-4-amine has a molecular weight of 197.26 g/mol, XLogP of 2.38, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,2-dimethylpropyl)-5-fluoro-6-methylpyrimidin-4-amine is sourced from PubChem (CID 103634936), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).