N-[(1-fluorocyclopropyl)methyl]-5-methoxypyrimidin-2-amine

C9H12FN3O — CID 130978395

IUPACN-[(1-fluorocyclopropyl)methyl]-5-methoxypyrimidin-2-amine
SMILESCOc1cnc(NCC2(F)CC2)nc1
InChIInChI=1S/C9H12FN3O/c1-14-7-4-11-8(12-5-7)13-6-9(10)2-3-9/h4-5H,2-3,6H2,1H3,(H,11,12,13)
InChIKeyLIKTWIHXWWBWAZ-UHFFFAOYSA-N
MW197.21 g/mol
LogP1.40
Rot. Bonds4

About N-[(1-fluorocyclopropyl)methyl]-5-methoxypyrimidin-2-amine

N-[(1-fluorocyclopropyl)methyl]-5-methoxypyrimidin-2-amine (PubChem CID 130978395) has the molecular formula C9H12FN3O and a molecular weight of 197.21 g/mol. Its IUPAC name is N-[(1-fluorocyclopropyl)methyl]-5-methoxypyrimidin-2-amine.

Molecular Properties

Compound NameN-[(1-fluorocyclopropyl)methyl]-5-methoxypyrimidin-2-amine
PubChem CID130978395
Molecular FormulaC9H12FN3O
Molecular Weight197.21 g/mol
Exact Mass197.10
IUPAC NameN-[(1-fluorocyclopropyl)methyl]-5-methoxypyrimidin-2-amine
SMILESCOc1cnc(NCC2(F)CC2)nc1
InChIInChI=1S/C9H12FN3O/c1-14-7-4-11-8(12-5-7)13-6-9(10)2-3-9/h4-5H,2-3,6H2,1H3,(H,11,12,13)
InChIKeyLIKTWIHXWWBWAZ-UHFFFAOYSA-N
XLogP1.40
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.21
LogP ≤ 51.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[(1-fluorocyclopropyl)methyl]-5-methoxypyrimidin-2-amine?
The IUPAC name of N-[(1-fluorocyclopropyl)methyl]-5-methoxypyrimidin-2-amine (CID 130978395) is N-[(1-fluorocyclopropyl)methyl]-5-methoxypyrimidin-2-amine.
What is the SMILES notation for N-[(1-fluorocyclopropyl)methyl]-5-methoxypyrimidin-2-amine?
The canonical SMILES for N-[(1-fluorocyclopropyl)methyl]-5-methoxypyrimidin-2-amine is COc1cnc(NCC2(F)CC2)nc1.
What is the InChIKey of N-[(1-fluorocyclopropyl)methyl]-5-methoxypyrimidin-2-amine?
The InChIKey is LIKTWIHXWWBWAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12FN3O/c1-14-7-4-11-8(12-5-7)13-6-9(10)2-3-9/h4-5H,2-3,6H2,1H3,(H,11,12,13).
What are the key properties of N-[(1-fluorocyclopropyl)methyl]-5-methoxypyrimidin-2-amine?
N-[(1-fluorocyclopropyl)methyl]-5-methoxypyrimidin-2-amine has a molecular weight of 197.21 g/mol, XLogP of 1.40, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-fluorocyclopropyl)methyl]-5-methoxypyrimidin-2-amine is sourced from PubChem (CID 130978395), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).