N-(2,2-dimethylcyclopropyl)-6-fluoropyrimidin-4-amine

C9H12FN3 — CID 115416834

IUPACN-(2,2-dimethylcyclopropyl)-6-fluoropyrimidin-4-amine
SMILESCC1(C)CC1Nc1cc(F)ncn1
InChIInChI=1S/C9H12FN3/c1-9(2)4-6(9)13-8-3-7(10)11-5-12-8/h3,5-6H,4H2,1-2H3,(H,11,12,13)
InChIKeyFWOMNSOKJWITSO-UHFFFAOYSA-N
MW181.21 g/mol
LogP1.83
Rot. Bonds2

About N-(2,2-dimethylcyclopropyl)-6-fluoropyrimidin-4-amine

N-(2,2-dimethylcyclopropyl)-6-fluoropyrimidin-4-amine (PubChem CID 115416834) has the molecular formula C9H12FN3 and a molecular weight of 181.21 g/mol. Its IUPAC name is N-(2,2-dimethylcyclopropyl)-6-fluoropyrimidin-4-amine.

Molecular Properties

Compound NameN-(2,2-dimethylcyclopropyl)-6-fluoropyrimidin-4-amine
PubChem CID115416834
Molecular FormulaC9H12FN3
Molecular Weight181.21 g/mol
Exact Mass181.10
IUPAC NameN-(2,2-dimethylcyclopropyl)-6-fluoropyrimidin-4-amine
SMILESCC1(C)CC1Nc1cc(F)ncn1
InChIInChI=1S/C9H12FN3/c1-9(2)4-6(9)13-8-3-7(10)11-5-12-8/h3,5-6H,4H2,1-2H3,(H,11,12,13)
InChIKeyFWOMNSOKJWITSO-UHFFFAOYSA-N
XLogP1.83
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.21
LogP ≤ 51.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(2,2-dimethylcyclopropyl)-6-fluoropyrimidin-4-amine?
The IUPAC name of N-(2,2-dimethylcyclopropyl)-6-fluoropyrimidin-4-amine (CID 115416834) is N-(2,2-dimethylcyclopropyl)-6-fluoropyrimidin-4-amine.
What is the SMILES notation for N-(2,2-dimethylcyclopropyl)-6-fluoropyrimidin-4-amine?
The canonical SMILES for N-(2,2-dimethylcyclopropyl)-6-fluoropyrimidin-4-amine is CC1(C)CC1Nc1cc(F)ncn1.
What is the InChIKey of N-(2,2-dimethylcyclopropyl)-6-fluoropyrimidin-4-amine?
The InChIKey is FWOMNSOKJWITSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12FN3/c1-9(2)4-6(9)13-8-3-7(10)11-5-12-8/h3,5-6H,4H2,1-2H3,(H,11,12,13).
What are the key properties of N-(2,2-dimethylcyclopropyl)-6-fluoropyrimidin-4-amine?
N-(2,2-dimethylcyclopropyl)-6-fluoropyrimidin-4-amine has a molecular weight of 181.21 g/mol, XLogP of 1.83, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,2-dimethylcyclopropyl)-6-fluoropyrimidin-4-amine is sourced from PubChem (CID 115416834), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).