6-ethyl-2-methyl-N-[2-methyl-1-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)propyl]pyrimidin-4-amine

C18H22N6O — CID 133472609

IUPAC6-ethyl-2-methyl-N-[2-methyl-1-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)propyl]pyrimidin-4-amine
SMILESCCc1cc(NC(c2nc(-c3ccncc3)no2)C(C)C)nc(C)n1
InChIInChI=1S/C18H22N6O/c1-5-14-10-15(21-12(4)20-14)22-16(11(2)3)18-23-17(24-25-18)13-6-8-19-9-7-13/h6-11,16H,5H2,1-4H3,(H,20,21,22)
InChIKeyBPSJOUCPZZMVIH-UHFFFAOYSA-N
MW338.42 g/mol
LogP3.60
Rot. Bonds6

About 6-ethyl-2-methyl-N-[2-methyl-1-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)propyl]pyrimidin-4-amine

6-ethyl-2-methyl-N-[2-methyl-1-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)propyl]pyrimidin-4-amine (PubChem CID 133472609) has the molecular formula C18H22N6O and a molecular weight of 338.42 g/mol. Its IUPAC name is 6-ethyl-2-methyl-N-[2-methyl-1-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)propyl]pyrimidin-4-amine.

Molecular Properties

Compound Name6-ethyl-2-methyl-N-[2-methyl-1-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)propyl]pyrimidin-4-amine
PubChem CID133472609
Molecular FormulaC18H22N6O
Molecular Weight338.42 g/mol
Exact Mass338.19
IUPAC Name6-ethyl-2-methyl-N-[2-methyl-1-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)propyl]pyrimidin-4-amine
SMILESCCc1cc(NC(c2nc(-c3ccncc3)no2)C(C)C)nc(C)n1
InChIInChI=1S/C18H22N6O/c1-5-14-10-15(21-12(4)20-14)22-16(11(2)3)18-23-17(24-25-18)13-6-8-19-9-7-13/h6-11,16H,5H2,1-4H3,(H,20,21,22)
InChIKeyBPSJOUCPZZMVIH-UHFFFAOYSA-N
XLogP3.60
TPSA89.62 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.42
LogP ≤ 53.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 6-ethyl-2-methyl-N-[2-methyl-1-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)propyl]pyrimidin-4-amine with MolForge

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Related Compounds

5-butan-2-yl-3-pyridin-4-yl-1,2,4-oxadiazole
CID 91114628
6-[[2-methyl-1-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)propyl]amino]-N-phenylpyridazine-3-carboxamide
CID 133374685
2-[[2-methyl-1-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)propyl]amino]-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one
CID 133374654
N-ethyl-3-methyl-1-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)butan-2-amine
CID 55203186
N-butan-2-yl-2-[(6-ethyl-2-pyridin-4-ylpyrimidin-4-yl)amino]propanamide
CID 56785557
3-amino-N-[2-methyl-1-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)propyl]butanamide;dihydrochloride
CID 119871681
N-[2-methyl-1-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)propyl]-5-(trifluoromethyl)-1,3-benzothiazol-2-amine
CID 133374686
5-pentan-3-yl-3-(4-pyridin-4-ylphenyl)-1,2,4-oxadiazole
CID 71088085
3-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)pentan-2-ol
CID 63345490
N-[1-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]ethyl]-4-pyridin-4-ylbenzamide
CID 25211295
(1S)-N,2-dimethyl-1-(3-phenyl-1,2,4-oxadiazol-5-yl)propan-1-amine
CID 59361184
3-methyl-1-propyl-N-[(1S)-1-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)ethyl]pyrazole-4-carboxamide
CID 97126973

Frequently Asked Questions

What is the IUPAC name of 6-ethyl-2-methyl-N-[2-methyl-1-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)propyl]pyrimidin-4-amine?
The IUPAC name of 6-ethyl-2-methyl-N-[2-methyl-1-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)propyl]pyrimidin-4-amine (CID 133472609) is 6-ethyl-2-methyl-N-[2-methyl-1-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)propyl]pyrimidin-4-amine.
What is the SMILES notation for 6-ethyl-2-methyl-N-[2-methyl-1-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)propyl]pyrimidin-4-amine?
The canonical SMILES for 6-ethyl-2-methyl-N-[2-methyl-1-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)propyl]pyrimidin-4-amine is CCc1cc(NC(c2nc(-c3ccncc3)no2)C(C)C)nc(C)n1.
What is the InChIKey of 6-ethyl-2-methyl-N-[2-methyl-1-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)propyl]pyrimidin-4-amine?
The InChIKey is BPSJOUCPZZMVIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N6O/c1-5-14-10-15(21-12(4)20-14)22-16(11(2)3)18-23-17(24-25-18)13-6-8-19-9-7-13/h6-11,16H,5H2,1-4H3,(H,20,21,22).
What are the key properties of 6-ethyl-2-methyl-N-[2-methyl-1-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)propyl]pyrimidin-4-amine?
6-ethyl-2-methyl-N-[2-methyl-1-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)propyl]pyrimidin-4-amine has a molecular weight of 338.42 g/mol, XLogP of 3.60, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-ethyl-2-methyl-N-[2-methyl-1-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)propyl]pyrimidin-4-amine is sourced from PubChem (CID 133472609), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).