5-[2-fluoro-4-(2-propan-2-yloxy-3-pyridinyl)phenyl]pyrimidin-2-amine

C18H17FN4O — CID 90312795

IUPAC5-[2-fluoro-4-(2-propan-2-yloxy-3-pyridinyl)phenyl]pyrimidin-2-amine
SMILESCC(C)Oc1ncccc1-c1ccc(-c2cnc(N)nc2)c(F)c1
InChIInChI=1S/C18H17FN4O/c1-11(2)24-17-15(4-3-7-21-17)12-5-6-14(16(19)8-12)13-9-22-18(20)23-10-13/h3-11H,1-2H3,(H2,20,22,23)
InChIKeyBRYLPVQTNKKEOD-UHFFFAOYSA-N
MW324.36 g/mol
LogP3.71
Rot. Bonds4

About 5-[2-fluoro-4-(2-propan-2-yloxy-3-pyridinyl)phenyl]pyrimidin-2-amine

5-[2-fluoro-4-(2-propan-2-yloxy-3-pyridinyl)phenyl]pyrimidin-2-amine (PubChem CID 90312795) has the molecular formula C18H17FN4O and a molecular weight of 324.36 g/mol. Its IUPAC name is 5-[2-fluoro-4-(2-propan-2-yloxy-3-pyridinyl)phenyl]pyrimidin-2-amine.

Molecular Properties

Compound Name5-[2-fluoro-4-(2-propan-2-yloxy-3-pyridinyl)phenyl]pyrimidin-2-amine
PubChem CID90312795
Molecular FormulaC18H17FN4O
Molecular Weight324.36 g/mol
Exact Mass324.14
IUPAC Name5-[2-fluoro-4-(2-propan-2-yloxy-3-pyridinyl)phenyl]pyrimidin-2-amine
SMILESCC(C)Oc1ncccc1-c1ccc(-c2cnc(N)nc2)c(F)c1
InChIInChI=1S/C18H17FN4O/c1-11(2)24-17-15(4-3-7-21-17)12-5-6-14(16(19)8-12)13-9-22-18(20)23-10-13/h3-11H,1-2H3,(H2,20,22,23)
InChIKeyBRYLPVQTNKKEOD-UHFFFAOYSA-N
XLogP3.71
TPSA73.92 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.36
LogP ≤ 53.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

6-Ethyl-5-{3-[3-Methoxy-5-(Pyridin-4-Yl)phenyl]prop-1-Yn-1-Yl}pyrimidine-2,4-Diamine
CID 57149550
(3R,4S)-1-[6-(6-methoxypyridin-3-yl)pyrimidin-4-yl]-4-(2,4,5-trifluorophenyl)pyrrolidin-3-amine
CID 24180585
3-({6-[4-(Trifluoromethyl)phenyl]pyrimidin-4-yl}oxy)isoquinoline
CID 9976219
4-N-[2-(4-fluorophenoxy)ethyl]-2-N-(1-phenylethyl)pyrimidine-2,4-diamine
CID 44393134
Cysteine Protease inhibitor
CID 12000657
1-({6-[4-(Trifluoromethyl)phenyl]pyrimidin-4-yl}oxy)isoquinoline
CID 16748086
2-N-[2-(4-fluorophenoxy)ethyl]-4-N-[(1S)-1-phenylethyl]pyrimidine-2,4-diamine
CID 44393169
3-Fluoropropyl 4-[4-(2-pyridinyl)-2-pyrimidinyl]phenyl ether
CID 4673337
[3-Ethoxy-5-(3-fluoro-phenyl)-pyridin-2-yl]-(6-methyl-pyridin-2-yl)-amine
CID 11267265
N-[4-[2-(Dimethylamino)ethoxy]phenyl]-4-(3-pyridinyl)-2-pyrimidinamine
CID 14347179
N-[4-[3-(Dimethylamino)propoxy]phenyl]-4-(3-pyridinyl)-2-pyrimidinamine
CID 14347180
N-[4-[2-(diethylamino)ethoxy]phenyl]-4-pyridin-4-ylpyrimidin-2-amine
CID 14347181

Frequently Asked Questions

What is the IUPAC name of 5-[2-fluoro-4-(2-propan-2-yloxy-3-pyridinyl)phenyl]pyrimidin-2-amine?
The IUPAC name of 5-[2-fluoro-4-(2-propan-2-yloxy-3-pyridinyl)phenyl]pyrimidin-2-amine (CID 90312795) is 5-[2-fluoro-4-(2-propan-2-yloxy-3-pyridinyl)phenyl]pyrimidin-2-amine.
What is the SMILES notation for 5-[2-fluoro-4-(2-propan-2-yloxy-3-pyridinyl)phenyl]pyrimidin-2-amine?
The canonical SMILES for 5-[2-fluoro-4-(2-propan-2-yloxy-3-pyridinyl)phenyl]pyrimidin-2-amine is CC(C)Oc1ncccc1-c1ccc(-c2cnc(N)nc2)c(F)c1.
What is the InChIKey of 5-[2-fluoro-4-(2-propan-2-yloxy-3-pyridinyl)phenyl]pyrimidin-2-amine?
The InChIKey is BRYLPVQTNKKEOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17FN4O/c1-11(2)24-17-15(4-3-7-21-17)12-5-6-14(16(19)8-12)13-9-22-18(20)23-10-13/h3-11H,1-2H3,(H2,20,22,23).
What are the key properties of 5-[2-fluoro-4-(2-propan-2-yloxy-3-pyridinyl)phenyl]pyrimidin-2-amine?
5-[2-fluoro-4-(2-propan-2-yloxy-3-pyridinyl)phenyl]pyrimidin-2-amine has a molecular weight of 324.36 g/mol, XLogP of 3.71, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-fluoro-4-(2-propan-2-yloxy-3-pyridinyl)phenyl]pyrimidin-2-amine is sourced from PubChem (CID 90312795), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).