N-[(1-ethylcyclobutyl)methyl]-5-fluoropyrimidin-2-amine

C11H16FN3 — CID 103826198

IUPACN-[(1-ethylcyclobutyl)methyl]-5-fluoropyrimidin-2-amine
SMILESCCC1(CNc2ncc(F)cn2)CCC1
InChIInChI=1S/C11H16FN3/c1-2-11(4-3-5-11)8-15-10-13-6-9(12)7-14-10/h6-7H,2-5,8H2,1H3,(H,13,14,15)
InChIKeyQMCSVVXGUGFHRT-UHFFFAOYSA-N
MW209.27 g/mol
LogP2.61
Rot. Bonds4

About N-[(1-ethylcyclobutyl)methyl]-5-fluoropyrimidin-2-amine

N-[(1-ethylcyclobutyl)methyl]-5-fluoropyrimidin-2-amine (PubChem CID 103826198) has the molecular formula C11H16FN3 and a molecular weight of 209.27 g/mol. Its IUPAC name is N-[(1-ethylcyclobutyl)methyl]-5-fluoropyrimidin-2-amine.

Molecular Properties

Compound NameN-[(1-ethylcyclobutyl)methyl]-5-fluoropyrimidin-2-amine
PubChem CID103826198
Molecular FormulaC11H16FN3
Molecular Weight209.27 g/mol
Exact Mass209.13
IUPAC NameN-[(1-ethylcyclobutyl)methyl]-5-fluoropyrimidin-2-amine
SMILESCCC1(CNc2ncc(F)cn2)CCC1
InChIInChI=1S/C11H16FN3/c1-2-11(4-3-5-11)8-15-10-13-6-9(12)7-14-10/h6-7H,2-5,8H2,1H3,(H,13,14,15)
InChIKeyQMCSVVXGUGFHRT-UHFFFAOYSA-N
XLogP2.61
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.27
LogP ≤ 52.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[[1-(chloromethyl)cyclohexyl]methyl]-5-fluoropyrimidin-2-amine
CID 104606755
N-[(1-ethylcyclobutyl)methyl]-5-nitropyrimidin-2-amine
CID 113434433
[4-[[(5-fluoropyrimidin-2-yl)amino]methyl]oxan-4-yl]methanol
CID 122562011
5-fluoro-N-[(2-methylthiolan-2-yl)methyl]pyrimidin-2-amine
CID 115750262
5-bromo-2-N-ethyl-4-N-[(1-ethylcyclobutyl)methyl]pyrimidine-2,4-diamine
CID 114110032
5-fluoro-N-[(4-methylpiperidin-4-yl)methyl]pyrimidin-2-amine
CID 104606423
5-fluoro-N-[(3-methylpiperidin-3-yl)methyl]pyrimidin-2-amine
CID 104606422
4-[(1-ethylcyclobutyl)methylamino]-1H-pyrimidin-6-one
CID 136857200
5-fluoro-N-[2-(1-methylcyclopropyl)ethyl]pyrimidin-2-amine
CID 126990894
4-chloro-6-ethoxy-N-[(1-ethylcyclobutyl)methyl]-1,3,5-triazin-2-amine
CID 114109143
N-[(1-ethylcyclopentyl)methyl]-4-methoxypyrimidin-2-amine
CID 114125798
N-[(1-ethylcyclopentyl)methyl]-6-methylpyrimidin-4-amine
CID 103764979

Frequently Asked Questions

What is the IUPAC name of N-[(1-ethylcyclobutyl)methyl]-5-fluoropyrimidin-2-amine?
The IUPAC name of N-[(1-ethylcyclobutyl)methyl]-5-fluoropyrimidin-2-amine (CID 103826198) is N-[(1-ethylcyclobutyl)methyl]-5-fluoropyrimidin-2-amine.
What is the SMILES notation for N-[(1-ethylcyclobutyl)methyl]-5-fluoropyrimidin-2-amine?
The canonical SMILES for N-[(1-ethylcyclobutyl)methyl]-5-fluoropyrimidin-2-amine is CCC1(CNc2ncc(F)cn2)CCC1.
What is the InChIKey of N-[(1-ethylcyclobutyl)methyl]-5-fluoropyrimidin-2-amine?
The InChIKey is QMCSVVXGUGFHRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16FN3/c1-2-11(4-3-5-11)8-15-10-13-6-9(12)7-14-10/h6-7H,2-5,8H2,1H3,(H,13,14,15).
What are the key properties of N-[(1-ethylcyclobutyl)methyl]-5-fluoropyrimidin-2-amine?
N-[(1-ethylcyclobutyl)methyl]-5-fluoropyrimidin-2-amine has a molecular weight of 209.27 g/mol, XLogP of 2.61, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-ethylcyclobutyl)methyl]-5-fluoropyrimidin-2-amine is sourced from PubChem (CID 103826198), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).