4-[5-(2-amino-2,4-dimethylpentoxy)-4-methyl-2-pyridinyl]-3-fluoropyridin-2-amine

C18H25FN4O — CID 137495410

IUPAC4-[5-(2-amino-2,4-dimethylpentoxy)-4-methyl-2-pyridinyl]-3-fluoropyridin-2-amine
SMILESCc1cc(-c2ccnc(N)c2F)ncc1OCC(C)(N)CC(C)C
InChIInChI=1S/C18H25FN4O/c1-11(2)8-18(4,21)10-24-15-9-23-14(7-12(15)3)13-5-6-22-17(20)16(13)19/h5-7,9,11H,8,10,21H2,1-4H3,(H2,20,22)
InChIKeyVYFDHUPZYAXGQA-UHFFFAOYSA-N
MW332.42 g/mol
LogP3.32
Rot. Bonds6

About 4-[5-(2-amino-2,4-dimethylpentoxy)-4-methyl-2-pyridinyl]-3-fluoropyridin-2-amine

4-[5-(2-amino-2,4-dimethylpentoxy)-4-methyl-2-pyridinyl]-3-fluoropyridin-2-amine (PubChem CID 137495410) has the molecular formula C18H25FN4O and a molecular weight of 332.42 g/mol. Its IUPAC name is 4-[5-(2-amino-2,4-dimethylpentoxy)-4-methyl-2-pyridinyl]-3-fluoropyridin-2-amine.

Molecular Properties

Compound Name4-[5-(2-amino-2,4-dimethylpentoxy)-4-methyl-2-pyridinyl]-3-fluoropyridin-2-amine
PubChem CID137495410
Molecular FormulaC18H25FN4O
Molecular Weight332.42 g/mol
Exact Mass332.20
IUPAC Name4-[5-(2-amino-2,4-dimethylpentoxy)-4-methyl-2-pyridinyl]-3-fluoropyridin-2-amine
SMILESCc1cc(-c2ccnc(N)c2F)ncc1OCC(C)(N)CC(C)C
InChIInChI=1S/C18H25FN4O/c1-11(2)8-18(4,21)10-24-15-9-23-14(7-12(15)3)13-5-6-22-17(20)16(13)19/h5-7,9,11H,8,10,21H2,1-4H3,(H2,20,22)
InChIKeyVYFDHUPZYAXGQA-UHFFFAOYSA-N
XLogP3.32
TPSA87.05 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.42
LogP ≤ 53.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

(2R)-1-[[6-(2-chloro-3-fluoro-4-pyridinyl)-4-(difluoromethyl)-3-pyridinyl]oxy]-2,4-dimethylpentan-2-amine
CID 118429442
(2S)-1-[(4-chloro-6-quinolin-4-yl-3-pyridinyl)oxy]-2,4-dimethylpentan-2-amine
CID 118429910
2,4-dimethyl-1-(2-methyl-4-pyridin-4-ylphenoxy)pentan-2-amine
CID 151535069
(2S)-2,4-dimethyl-1-[2-methyl-4-[2-(trifluoromethyl)pyrimidin-4-yl]phenoxy]pentan-2-amine
CID 135390625
(2S)-1-[[5-(7-fluoroquinolin-4-yl)-3-methyl-2-pyridinyl]oxy]-2,4-dimethylpentan-2-amine
CID 118429942
(2S)-1-[[6-(2-chloro-5-fluoro-4-pyridinyl)-2-methyl-3-pyridinyl]oxy]-2,4-dimethylpentan-2-amine
CID 118429797
(2S)-1-[[2-chloro-6-(7-fluoroquinolin-4-yl)-3-pyridinyl]oxy]-2,4-dimethylpentan-2-amine
CID 118419718
(2S)-2,4-dimethyl-1-(2-methyl-4-pyrazolo[1,5-a]pyrimidin-3-ylphenoxy)pentan-2-amine
CID 137472254
1-(4-bromo-2-fluorophenoxy)-2,4-dimethylpentan-2-amine
CID 123551624
2,4-dimethyl-1-[[7-(2-methyl-4-pyridinyl)-1,3-benzothiazol-4-yl]oxy]pentan-2-amine
CID 137459495
(2S)-1-[(3,5-dimethyl-2-pyridinyl)oxy]-2,4-dimethylpentan-2-amine
CID 145286374
(2S)-2,4-dimethyl-1-[(2-methyl-6-quinolin-4-yl-3-pyridinyl)oxy]pentan-2-amine
CID 118429691

Frequently Asked Questions

What is the IUPAC name of 4-[5-(2-amino-2,4-dimethylpentoxy)-4-methyl-2-pyridinyl]-3-fluoropyridin-2-amine?
The IUPAC name of 4-[5-(2-amino-2,4-dimethylpentoxy)-4-methyl-2-pyridinyl]-3-fluoropyridin-2-amine (CID 137495410) is 4-[5-(2-amino-2,4-dimethylpentoxy)-4-methyl-2-pyridinyl]-3-fluoropyridin-2-amine.
What is the SMILES notation for 4-[5-(2-amino-2,4-dimethylpentoxy)-4-methyl-2-pyridinyl]-3-fluoropyridin-2-amine?
The canonical SMILES for 4-[5-(2-amino-2,4-dimethylpentoxy)-4-methyl-2-pyridinyl]-3-fluoropyridin-2-amine is Cc1cc(-c2ccnc(N)c2F)ncc1OCC(C)(N)CC(C)C.
What is the InChIKey of 4-[5-(2-amino-2,4-dimethylpentoxy)-4-methyl-2-pyridinyl]-3-fluoropyridin-2-amine?
The InChIKey is VYFDHUPZYAXGQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25FN4O/c1-11(2)8-18(4,21)10-24-15-9-23-14(7-12(15)3)13-5-6-22-17(20)16(13)19/h5-7,9,11H,8,10,21H2,1-4H3,(H2,20,22).
What are the key properties of 4-[5-(2-amino-2,4-dimethylpentoxy)-4-methyl-2-pyridinyl]-3-fluoropyridin-2-amine?
4-[5-(2-amino-2,4-dimethylpentoxy)-4-methyl-2-pyridinyl]-3-fluoropyridin-2-amine has a molecular weight of 332.42 g/mol, XLogP of 3.32, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[5-(2-amino-2,4-dimethylpentoxy)-4-methyl-2-pyridinyl]-3-fluoropyridin-2-amine is sourced from PubChem (CID 137495410), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).