N-ethyl-6-fluoro-N-(furan-2-ylmethyl)pyrimidin-4-amine

C11H12FN3O — CID 115416612

IUPACN-ethyl-6-fluoro-N-(furan-2-ylmethyl)pyrimidin-4-amine
SMILESCCN(Cc1ccco1)c1cc(F)ncn1
InChIInChI=1S/C11H12FN3O/c1-2-15(7-9-4-3-5-16-9)11-6-10(12)13-8-14-11/h3-6,8H,2,7H2,1H3
InChIKeyHCYZBORTJIUQLN-UHFFFAOYSA-N
MW221.24 g/mol
LogP2.24
Rot. Bonds4

About N-ethyl-6-fluoro-N-(furan-2-ylmethyl)pyrimidin-4-amine

N-ethyl-6-fluoro-N-(furan-2-ylmethyl)pyrimidin-4-amine (PubChem CID 115416612) has the molecular formula C11H12FN3O and a molecular weight of 221.24 g/mol. Its IUPAC name is N-ethyl-6-fluoro-N-(furan-2-ylmethyl)pyrimidin-4-amine.

Molecular Properties

Compound NameN-ethyl-6-fluoro-N-(furan-2-ylmethyl)pyrimidin-4-amine
PubChem CID115416612
Molecular FormulaC11H12FN3O
Molecular Weight221.24 g/mol
Exact Mass221.10
IUPAC NameN-ethyl-6-fluoro-N-(furan-2-ylmethyl)pyrimidin-4-amine
SMILESCCN(Cc1ccco1)c1cc(F)ncn1
InChIInChI=1S/C11H12FN3O/c1-2-15(7-9-4-3-5-16-9)11-6-10(12)13-8-14-11/h3-6,8H,2,7H2,1H3
InChIKeyHCYZBORTJIUQLN-UHFFFAOYSA-N
XLogP2.24
TPSA42.16 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.24
LogP ≤ 52.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

4-[(tert-butylamino)methyl]-N-ethyl-N-(furan-2-ylmethyl)pyridin-2-amine
CID 62287774
5-amino-2-[ethyl(furan-2-ylmethyl)amino]pyridine-4-carboxylic acid
CID 114090156
[4-[ethyl(furan-2-ylmethyl)amino]-2-pyridinyl]methanol
CID 61423124
N-ethyl-N-(furan-2-ylmethyl)-5-[(propan-2-ylamino)methyl]pyrazin-2-amine
CID 107379760
4-N-ethyl-4-N-(furan-2-ylmethyl)-2-N-methyl-6-(trifluoromethyl)pyrimidine-2,4-diamine
CID 114564325
N-ethyl-N-(furan-2-ylmethyl)-2-[(propan-2-ylamino)methyl]pyridin-4-amine
CID 62288133
N-ethyl-N-(furan-2-ylmethyl)-6-hydrazinyl-2-methylsulfanylpyrimidin-4-amine
CID 80896307
2-N-ethyl-2-N-(furan-2-ylmethyl)-6-(2-methylpropoxy)pyridine-2,5-diamine
CID 61423455
N-ethyl-N-(furan-2-ylmethyl)-6-hydrazinyl-5-methylpyrimidin-4-amine
CID 80896459
3-chloro-N-ethyl-N-(furan-2-ylmethyl)-1,2,4-triazin-5-amine
CID 115001296
2-[(tert-butylamino)methyl]-N-ethyl-N-(furan-2-ylmethyl)pyridin-4-amine
CID 62288315
N-ethyl-3-fluoro-N-(furan-2-ylmethyl)-4-(methylaminomethyl)pyridin-2-amine
CID 105389589

Frequently Asked Questions

What is the IUPAC name of N-ethyl-6-fluoro-N-(furan-2-ylmethyl)pyrimidin-4-amine?
The IUPAC name of N-ethyl-6-fluoro-N-(furan-2-ylmethyl)pyrimidin-4-amine (CID 115416612) is N-ethyl-6-fluoro-N-(furan-2-ylmethyl)pyrimidin-4-amine.
What is the SMILES notation for N-ethyl-6-fluoro-N-(furan-2-ylmethyl)pyrimidin-4-amine?
The canonical SMILES for N-ethyl-6-fluoro-N-(furan-2-ylmethyl)pyrimidin-4-amine is CCN(Cc1ccco1)c1cc(F)ncn1.
What is the InChIKey of N-ethyl-6-fluoro-N-(furan-2-ylmethyl)pyrimidin-4-amine?
The InChIKey is HCYZBORTJIUQLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12FN3O/c1-2-15(7-9-4-3-5-16-9)11-6-10(12)13-8-14-11/h3-6,8H,2,7H2,1H3.
What are the key properties of N-ethyl-6-fluoro-N-(furan-2-ylmethyl)pyrimidin-4-amine?
N-ethyl-6-fluoro-N-(furan-2-ylmethyl)pyrimidin-4-amine has a molecular weight of 221.24 g/mol, XLogP of 2.24, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-6-fluoro-N-(furan-2-ylmethyl)pyrimidin-4-amine is sourced from PubChem (CID 115416612), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).