N-(3-butan-2-yloxyphenyl)-6-fluoropyrimidin-4-amine

C14H16FN3O — CID 113305699

IUPACN-(3-butan-2-yloxyphenyl)-6-fluoropyrimidin-4-amine
SMILESCCC(C)Oc1cccc(Nc2cc(F)ncn2)c1
InChIInChI=1S/C14H16FN3O/c1-3-10(2)19-12-6-4-5-11(7-12)18-14-8-13(15)16-9-17-14/h4-10H,3H2,1-2H3,(H,16,17,18)
InChIKeyDSQUVZYNMZHFDP-UHFFFAOYSA-N
MW261.30 g/mol
LogP3.54
Rot. Bonds5

About N-(3-butan-2-yloxyphenyl)-6-fluoropyrimidin-4-amine

N-(3-butan-2-yloxyphenyl)-6-fluoropyrimidin-4-amine (PubChem CID 113305699) has the molecular formula C14H16FN3O and a molecular weight of 261.30 g/mol. Its IUPAC name is N-(3-butan-2-yloxyphenyl)-6-fluoropyrimidin-4-amine.

Molecular Properties

Compound NameN-(3-butan-2-yloxyphenyl)-6-fluoropyrimidin-4-amine
PubChem CID113305699
Molecular FormulaC14H16FN3O
Molecular Weight261.30 g/mol
Exact Mass261.13
IUPAC NameN-(3-butan-2-yloxyphenyl)-6-fluoropyrimidin-4-amine
SMILESCCC(C)Oc1cccc(Nc2cc(F)ncn2)c1
InChIInChI=1S/C14H16FN3O/c1-3-10(2)19-12-6-4-5-11(7-12)18-14-8-13(15)16-9-17-14/h4-10H,3H2,1-2H3,(H,16,17,18)
InChIKeyDSQUVZYNMZHFDP-UHFFFAOYSA-N
XLogP3.54
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.30
LogP ≤ 53.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(3-butan-2-yloxyphenyl)-6-hydrazinylpyridin-2-amine
CID 80908739
2-(3-butan-2-yloxyanilino)pyridine-4-carbothioamide
CID 62327209
N-(3-butan-2-yloxyphenyl)-2-chloro-6-methylpyrimidin-4-amine
CID 63548911
4-N-[3-(difluoromethoxy)phenyl]-6-N-methylpyrimidine-4,6-diamine
CID 122281805
N-(3-butan-2-yloxyphenyl)-3-chloro-1,2,4-triazin-5-amine
CID 55060108
2-(3-butan-2-yloxyanilino)ethanol
CID 62328235
1-N-(3-butan-2-yloxyphenyl)-4-fluoro-5-methylbenzene-1,2-diamine
CID 103590295
5-(1-aminoethyl)-N-(3-butan-2-yloxyphenyl)-1,3,4-oxadiazol-2-amine
CID 106960252
N-(3,4-diethoxyphenyl)-6-fluoropyrimidin-4-amine
CID 115416312
2-(3-butan-2-yloxyanilino)pyrimidine-4-carbonitrile
CID 107544315
5-(3-butan-2-yloxyanilino)-1,3-thiazole-4-carboxylic acid
CID 64629880
3-butan-2-yloxy-N-(3,3,3-trifluoropropyl)aniline
CID 64554822

Frequently Asked Questions

What is the IUPAC name of N-(3-butan-2-yloxyphenyl)-6-fluoropyrimidin-4-amine?
The IUPAC name of N-(3-butan-2-yloxyphenyl)-6-fluoropyrimidin-4-amine (CID 113305699) is N-(3-butan-2-yloxyphenyl)-6-fluoropyrimidin-4-amine.
What is the SMILES notation for N-(3-butan-2-yloxyphenyl)-6-fluoropyrimidin-4-amine?
The canonical SMILES for N-(3-butan-2-yloxyphenyl)-6-fluoropyrimidin-4-amine is CCC(C)Oc1cccc(Nc2cc(F)ncn2)c1.
What is the InChIKey of N-(3-butan-2-yloxyphenyl)-6-fluoropyrimidin-4-amine?
The InChIKey is DSQUVZYNMZHFDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16FN3O/c1-3-10(2)19-12-6-4-5-11(7-12)18-14-8-13(15)16-9-17-14/h4-10H,3H2,1-2H3,(H,16,17,18).
What are the key properties of N-(3-butan-2-yloxyphenyl)-6-fluoropyrimidin-4-amine?
N-(3-butan-2-yloxyphenyl)-6-fluoropyrimidin-4-amine has a molecular weight of 261.30 g/mol, XLogP of 3.54, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-butan-2-yloxyphenyl)-6-fluoropyrimidin-4-amine is sourced from PubChem (CID 113305699), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).